| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.9 | Very low | 31 | Very low | 234 Ų | 234 | 160.4 Ų | 160.4 | 100% | 1.153 | 79% | 0.789 | S | S | * | * | 0 | 15.3 | 0 | -128.8 | 170.9 | -170.3 | 0 | 0 | 114.3 | |||||
| 2 | R | 25.3 | Very low | 31.1 | Very low | 234 Ų | 234 | 161.2 Ų | 161.2 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -121.8 | 3.8 | 178.5 | -103.1 | 178.6 | 164.1 | 179.1 | -5.6 | 114.5 | ||||
| 3 | T | 31.3 | Very low | 30.5 | Very low | 128 Ų | 128 | 155.2 Ų | 155.2 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -104.1 | -3.3 | 179.1 | 22.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 4 | L | 31.3 | Very low | 30.2 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -96.9 | -8.9 | 178.7 | -93 | 152 | 0 | 0 | 0 | 113.8 | ||
| 5 | F | 29.7 | Very low | 30.1 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 68% | 0.684 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -97.8 | -15.3 | -177 | -144.5 | -100.2 | 0 | 0 | 0 | 113.3 | ||
| 6 | T | 30.7 | Very low | 30.1 | Very low | 105 Ų | 105 | 147.8 Ų | 147.8 | 64% | 0.644 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -85.5 | -17.1 | -178.3 | -29.3 | 0 | 0 | 0 | 0 | 113 | ||
| 7 | L | 30.7 | Very low | 29.8 | Very low | 152 Ų | 152 | 152.1 Ų | 152.1 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -83.8 | -13.3 | 177.7 | -142.9 | 85.6 | 0 | 0 | 0 | 113.2 | ||
| 8 | Y | 30.7 | Very low | 29.7 | Very low | 170 Ų | 170 | 151.1 Ų | 151.1 | 67% | 0.667 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -85.5 | -16.1 | -175.8 | -169.4 | -105.2 | 0 | 0 | 0 | 113.4 | ||
| 9 | L | 29.3 | Very low | 29.4 | Very low | 136 Ų | 136 | 154.8 Ų | 154.8 | 71% | 0.712 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -106.1 | 5 | -170.4 | -103.3 | 145.5 | 0 | 0 | 0 | 115.3 | L11 | L9-L11 VanDerWaalsContact C-N 3.33Š|
| 10 | L | 29.8 | Very low | 29.2 | Very low | 166 Ų | 166 | 152.3 Ų | 152.3 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -93.2 | 7.5 | 169 | -93.2 | 152.5 | 0 | 0 | 0 | 112.8 | ||
| 11 | L | 30.1 | Very low | 29 | Very low | 128 Ų | 128 | 151.9 Ų | 151.9 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -89.4 | 2.7 | -171.7 | -94.8 | 162.2 | 0 | 0 | 0 | 115.9 | L9 | L9-L11 VanDerWaalsContact C-N 3.33Š|
| 12 | I | 32.3 | Very low | 28.2 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | -138.9 | 96.9 | -176.4 | -50.3 | 178.5 | 0 | 0 | 0 | 110.2 | ||||
| 13 | G | 23.5 | Very low | 28.2 | Very low | 84 Ų | 84 | 140.8 Ų | 140.8 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | 174 | 88.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 14 | G | 25.7 | Very low | 28 | Very low | 73 Ų | 73 | 143.2 Ų | 143.2 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 147.6 | 139.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 15 | P | 29.6 | Very low | 27.7 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -110.3 | 159.1 | -144 | 35 | -21.7 | 0 | 0 | 0 | 115.8 | ||||
| 16 | N | 29.8 | Very low | 28.1 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | 40.6 | 104.1 | 147.2 | -72.2 | -8.4 | 0 | 0 | 0 | 119.2 | ||||
| 17 | R | 25.2 | Very low | 27.8 | Very low | 220 Ų | 220 | 143.3 Ų | 143.3 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | -139.4 | 103.1 | 143.3 | -76 | -167 | 175 | -170.2 | -2.1 | 110.5 | ||||
| 18 | T | 28.4 | Very low | 28 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | -67.6 | 123.6 | 166 | 45.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 19 | W | 24.1 | Very low | 27.8 | Very low | 221 Ų | 221 | 137.9 Ų | 137.9 | 84% | 0.837 | 81% | 0.812 | S | S | * | * | trans | -129.9 | 122.2 | 165.9 | -73.8 | 75.4 | 0 | 0 | 0 | 109.4 | ||||
| 20 | A | 25 | Very low | 28.2 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | trans | -71.6 | 140.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 21 | T | 25.6 | Very low | 28 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -74.4 | 133.9 | 171.2 | 44.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 22 | G | 23.8 | Very low | 28.2 | Very low | 76 Ų | 76 | 138.3 Ų | 138.3 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | trans | -123.3 | 103.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 23 | N | 25.2 | Very low | 28.1 | Very low | 158 Ų | 158 | 135 Ų | 135 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -113.2 | 123.6 | 153.7 | -103.4 | -3.2 | 0 | 0 | 0 | 106.2 | T25 | N23-T25 PolarHBondContact O-N 3Š| ||
| 24 | L | 27.1 | Very low | 28.6 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 94% | 0.942 | 82% | 0.823 | S | S | * | * | trans | -76.3 | 98.5 | 174.9 | -85 | 146.6 | 0 | 0 | 0 | 109.1 | ||||
| 25 | T | 26.1 | Very low | 29 | Very low | 126 Ų | 126 | 143 Ų | 143 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -123.8 | 132.3 | 155 | 45.2 | 0 | 0 | 0 | 0 | 108.5 | N23 D27 | N23-T25 PolarHBondContact O-N 3Å; T25-D27 PolarHBondContact O-N 2.93Å | ||
| 26 | V | 38.2 | Very low | 29.3 | Very low | 144 Ų | 144 | 144.7 Ų | 144.7 | 87% | 0.873 | 82% | 0.815 | S | S | * | * | trans | -48.5 | 121.2 | 179 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 27 | D | 23.4 | Very low | 30.2 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -123.2 | 117.7 | 160.6 | -122.4 | -13.1 | 0 | 0 | 0 | 109.4 | T25 S29 | T25-D27 PolarHBondContact O-N 2.93Å; D27-S29 PolarHBondContact O-N 3.3Å | ||
| 28 | S | 35.5 | Very low | 31.7 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -79 | 92 | 174.6 | 52.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 29 | S | 25.4 | Very low | 33.7 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | trans | -140.7 | 114.8 | 163.4 | 58.9 | 0 | 0 | 0 | 0 | 110 | D27 D31 | D27-S29 PolarHBondContact O-N 3.3Å; S29-D31 PolarHBondContact O-N 3.48Å; S29-D31 VanDerWaalsContact O-N 3.08Å | ||
| 30 | T | 38.2 | Very low | 36.4 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 92% | 0.92 | 76% | 0.758 | S | S | * | * | trans | -37.8 | 108 | 160.2 | 20.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 31 | D | 26.6 | Very low | 39.1 | Very low | 143 Ų | 143 | 124.7 Ų | 124.7 | 77% | 0.765 | 72% | 0.717 | S | S | * | * | trans | -143.1 | 113.1 | 157.2 | -136.9 | -12.6 | 0 | 0 | 0 | 111.8 | S29 S33 | S29-D31 PolarHBondContact O-N 3.48Å; S29-D31 VanDerWaalsContact O-N 3.08Å; D31-S33 VanDerWaalsContact C-N 3.35Å; D31-S33 PolarHBondContact O-N 3.05Å | ||
| 32 | T | 34.2 | Very low | 41.7 | Very low | 146 Ų | 146 | 118.5 Ų | 118.5 | 90% | 0.896 | 68% | 0.679 | S | S | * | * | trans | -69.6 | 83.5 | 175.5 | 28.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 33 | S | 29 | Very low | 44.2 | Very low | 101 Ų | 101 | 115.2 Ų | 115.2 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | trans | -109.5 | 106.8 | 160.8 | 61.5 | 0 | 0 | 0 | 0 | 109.6 | D31 S35 | D31-S33 VanDerWaalsContact C-N 3.35Å; D31-S33 PolarHBondContact O-N 3.05Å; S33-S35 VanDerWaalsContact C-N 3.33Å; S33-S35 PolarHBondContact O-N 3.02Å | ||
| 34 | R | 33.8 | Very low | 46.3 | Very low | 249 Ų | 249 | 110.1 Ų | 110.1 | 94% | 0.94 | 63% | 0.628 | S | S | * | * | trans | -68.5 | 90.6 | 170.2 | -81.7 | 176.2 | 170.1 | 161.9 | -3.6 | 108.4 | ||||
| 35 | S | 34.6 | Very low | 48.1 | Very low | 76 Ų | 76 | 106.7 Ų | 106.7 | 53% | 0.531 | 61% | 0.611 | S | S | . | * | trans | -74.5 | 124.8 | 154.9 | 49 | 0 | 0 | 0 | 0 | 108 | S33 Y37 | S33-S35 VanDerWaalsContact C-N 3.33Å; S33-S35 PolarHBondContact O-N 3.02Å; S35-Y37 PolarHBondContact O-N 3.45Å; S35-Y37 VanDerWaalsContact OG-CD2 3.23Å; S35-Y37 WeakPolarHBondContact OG-CD2 3.42Å; S35-Y37 VanDerWaalsContact OG-CE2 3.3Å; S35-Y37 WeakPolarHBondContact OG-CE2 3.35Å | ||
| 36 | N | 36.1 | Very low | 49.9 | Very low | 157 Ų | 157 | 101 Ų | 101 | 84% | 0.84 | 58% | 0.577 | S | S | * | * | trans | -68 | 73.6 | 175.7 | -85.4 | -16.1 | 0 | 0 | 0 | 110.3 | ||||
| 37 | Y | 48.3 | Very low | 51.1 | Low | 124 Ų | 124 | 97.5 Ų | 97.5 | 49% | 0.486 | 56% | 0.559 | S | S | . | * | trans | -90.4 | 111.1 | 162.1 | -71.6 | -80.6 | 0 | 0 | 0 | 107.7 | S35 G39 G46 | S35-Y37 PolarHBondContact O-N 3.45Å; S35-Y37 VanDerWaalsContact OG-CD2 3.23Å; S35-Y37 WeakPolarHBondContact OG-CD2 3.42Å; S35-Y37 VanDerWaalsContact OG-CE2 3.3Å; S35-Y37 WeakPolarHBondContact OG-CE2 3.35Å; Y37-G39 PolarHBondContact O-N 3.43Å; Y37-G46 WeakPolarHBondContact CE1-O 3.37Å; Y37-G46 PolarHBondContact OH-O 3.26Å | ||
| 38 | T | 58.2 | Low | 53.2 | Low | 150 Ų | 150 | 93.4 Ų | 93.4 | 92% | 0.92 | 54% | 0.539 | S | S | * | . | trans | -82.3 | 15.6 | -174.9 | 51.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 39 | G | 69.9 | Low | 55.3 | Low | 25 Ų | 25 | 92.5 Ų | 92.5 | 26% | 0.258 | 52% | 0.523 | S | S | . | . | trans | -120.8 | 150.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y37 E134 | Y37-G39 PolarHBondContact O-N 3.43Å; G39-E134 WeakPolarHBondContact CA-OE1 3.16Å | ||
| 40 | Y | 80.3 | Confident | 57.9 | Low | 113 Ų | 113 | 91.7 Ų | 91.7 | 44% | 0.443 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -83.4 | -22.2 | 175.1 | -56.2 | -77.5 | 0 | 0 | 0 | 112.8 | S65 R66 Y67 I133 E134 | Y40-S65 CarbonylContact O-C 3.55Å; Y40-S65 WeakPolarHBondContact O-CA 3.29Å; Y40-R66 PolarHBondContact O-N 3.39Å; Y40-Y67 AromaticContact CD1-CD2 3.85Å; Y40-Y67 HydrophobicContact CD1-CD2 3.85Å; Y40-Y67 HydrophobicContact CD1-CG 4.45Å; Y40-Y67 HydrophobicContact CD2-CD2 4.02Å; Y40-Y67 AromaticContact CE1-CD2 3.85Å; Y40-Y67 HydrophobicContact CE1-CD2 3.85Å; Y40-Y67 HydrophobicContact CE2-CD2 4.02Å; Y40-Y67 HydrophobicContact CE2-CE2 4.46Å; Y40-Y67 AromaticContact CG-CD2 3.94Å; Y40-Y67 HydrophobicContact CG-CD2 3.94Å; Y40-Y67 HydrophobicContact CG-CG 4.42Å; Y40-Y67 AromaticContact CZ-CD2 3.94Å; Y40-I133 HydrophobicContact CD2-CG2 4.21Å; Y40-I133 HydrophobicContact CE2-CG2 4.43Å; Y40-E134 VanDerWaalsContact CA-OE2 3.23Å; Y40-E134 WeakPolarHBondContact CA-OE2 3.48Å; Y40-E134 WeakPolarHBondContact CB-OE2 3.4Å; Y40-E134 WeakPolarHBondContact CD2-OE2 3.36Å; Y40-E134 PolarHBondContact N-OE1 2.94Å; Y40-E134 PolarHBondContact N-OE2 2.97Å |
| 41 | I | 82.4 | Confident | 59.8 | Low | 2 Ų | 2 | 86.6 Ų | 86.6 | 1% | 0.01 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 133.9 | -177.6 | -57.4 | 173.5 | 0 | 0 | 0 | 111.2 | I63 S64 I119 L121 E134 R136 | I41-I63 HydrophobicContact CG2-CG2 3.58Å; I41-S64 WeakPolarHBondContact CA-O 3.36Å; I41-I119 HydrophobicContact CD1-CG2 3.96Å; I41-I119 HydrophobicContact CG2-CG2 3.96Å; I41-L121 HydrophobicContact CD1-CB 3.46Å; I41-L121 VanDerWaalsContact CD1-CB 3.46Å; I41-L121 HydrophobicContact CG1-CB 3.87Å; I41-L121 HydrophobicContact CG1-CD2 4.17Å; I41-E134 HydrophobicContact CD1-CB 4.17Å; I41-E134 HydrophobicContact CD1-CG 4.19Å; I41-E134 PolarHBondContact N-OE2 3.32Å; I41-E134 VanDerWaalsContact N-OE2 3.17Å; I41-R136 PolarHBondContact O-NH1 3.47Å |
| 42 | S | 79.8 | Confident | 62.4 | Low | 14 Ų | 14 | 85.5 Ų | 85.5 | 10% | 0.098 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 143.5 | 169.1 | 64.1 | 0 | 0 | 0 | 0 | 112.8 | S64 | S42-S64 PolarHBondContact N-O 3.47Å; S42-S64 PolarHBondContact O-N 3.05Å |
| 43 | I | 75.8 | Confident | 64.5 | Low | 7 Ų | 7 | 80.3 Ų | 80.3 | 4% | 0.036 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 130.8 | 163 | -62.5 | 166.4 | 0 | 0 | 0 | 107.8 | D45 G46 F51 I61 I63 I119 Y139 | I43-D45 PolarHBondContact O-N 3.09Å; I43-G46 PolarHBondContact O-N 3.43Å; I43-G46 VanDerWaalsContact O-N 3.17Å; I43-F51 HydrophobicContact CB-CE2 3.87Å; I43-F51 HydrophobicContact CB-CZ 3.62Å; I43-F51 HydrophobicContact CD1-CD2 4.46Å; I43-F51 HydrophobicContact CD1-CE2 3.88Å; I43-F51 HydrophobicContact CG1-CE2 4.47Å; I43-F51 HydrophobicContact CG2-CD1 4.46Å; I43-F51 HydrophobicContact CG2-CD2 4.46Å; I43-F51 HydrophobicContact CG2-CE1 3.68Å; I43-F51 HydrophobicContact CG2-CE2 3.66Å; I43-F51 HydrophobicContact CG2-CZ 3.22Å; I43-I61 HydrophobicContact CD1-CG2 4.19Å; I43-I61 HydrophobicContact CG1-CG2 4.27Å; I43-I61 HydrophobicContact CG2-CG2 3.93Å; I43-I63 HydrophobicContact CD1-CG1 4.48Å; I43-I63 HydrophobicContact CG1-CD1 4.35Å; I43-I63 HydrophobicContact CG1-CG1 3.78Å; I43-I119 HydrophobicContact CD1-CD1 4Å; I43-Y139 HydrophobicContact CB-CE1 4.21Å; I43-Y139 HydrophobicContact CD1-CD1 3.76Å; I43-Y139 HydrophobicContact CD1-CD2 4.39Å; I43-Y139 HydrophobicContact CD1-CE1 4.11Å; I43-Y139 HydrophobicContact CD1-CG 3.88Å; I43-Y139 HydrophobicContact CG1-CD1 4.46Å; I43-Y139 HydrophobicContact CG1-CE1 4.32Å |
| 44 | G | 69.3 | Low | 66.7 | Low | 50 Ų | 50 | 78.4 Ų | 78.4 | 52% | 0.515 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | -133.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G46 | G44-G46 VanDerWaalsContact C-N 3.3Š|
| 45 | D | 64.5 | Low | 68.9 | Low | 108 Ų | 108 | 67.9 Ų | 67.9 | 58% | 0.578 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -4.5 | 176.1 | 67.6 | -7.1 | 0 | 0 | 0 | 113.6 | I43 S47 | I43-D45 PolarHBondContact O-N 3.09Å; D45-S47 VanDerWaalsContact C-N 3.35Å; D45-S47 VanDerWaalsContact CG-OG 3.24Å; D45-S47 WeakPolarHBondContact OD1-CB 3.47Å; D45-S47 PolarHBondContact OD1-N 2.87Å; D45-S47 PolarHBondContact OD1-OG 2.66Å; D45-S47 PolarHBondContact OD2-OG 2.9Å; D45-S47 VanDerWaalsContact OD2-OG 3.08Å |
| 46 | G | 63.7 | Low | 70.9 | Confident | 6 Ų | 6 | 69.6 Ų | 69.6 | 6% | 0.062 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 82.7 | 3.5 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y37 I43 G44 | Y37-G46 WeakPolarHBondContact CE1-O 3.37Å; Y37-G46 PolarHBondContact OH-O 3.26Å; I43-G46 PolarHBondContact O-N 3.43Å; I43-G46 VanDerWaalsContact O-N 3.17Å; G44-G46 VanDerWaalsContact C-N 3.3Å |
| 47 | S | 64.1 | Low | 72.7 | Confident | 71 Ų | 71 | 64.4 Ų | 64.4 | 50% | 0.497 | 35% | 0.353 | S | S | . | . | trans | -80 | -27.3 | 179.5 | 69.6 | 0 | 0 | 0 | 0 | 113.3 | D45 | D45-S47 VanDerWaalsContact C-N 3.35Å; D45-S47 VanDerWaalsContact CG-OG 3.24Å; D45-S47 WeakPolarHBondContact OD1-CB 3.47Å; D45-S47 PolarHBondContact OD1-N 2.87Å; D45-S47 PolarHBondContact OD1-OG 2.66Å; D45-S47 PolarHBondContact OD2-OG 2.9Å; D45-S47 VanDerWaalsContact OD2-OG 3.08Å | ||
| 48 | T | 66.8 | Low | 74.3 | Confident | 62 Ų | 62 | 64.6 Ų | 64.6 | 38% | 0.38 | 36% | 0.358 | S | S | . | . | trans | -110.2 | 135.7 | -176.2 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | F51 | T48-F51 WeakPolarHBondContact O-CZ 3.46Å; T48-F51 VanDerWaalsContact OG1-CE1 3.29Å; T48-F51 WeakPolarHBondContact OG1-CE1 3.35Å; T48-F51 WeakPolarHBondContact OG1-CZ 3.42Å | ||
| 49 | Q | 80.6 | Confident | 75.2 | Confident | 96 Ų | 96 | 58 Ų | 58 | 45% | 0.449 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -108.9 | -18.8 | 177.2 | -70.4 | 177.3 | -7.2 | 0 | 0 | 112.9 | Y139 F140 | Q49-Y139 HydrophobicContact CG-CE1 4.46Å; Q49-Y139 CarbonylContact O-C 3.57Å; Q49-Y139 WeakPolarHBondContact O-CA 3.13Å; Q49-F140 PolarHBondContact O-N 2.97Å |
| 50 | E | 80.6 | Confident | 75.7 | Confident | 76 Ų | 76 | 61 Ų | 61 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.3 | 177.4 | -171.3 | 171.5 | -174.7 | 0 | 0 | 109.7 | R114 F140 R142 | E50-R114 IonicContact OE1-CZ 2.71Å; E50-R114 VanDerWaalsContact OE1-CZ 3.26Å; E50-R114 IonicContact OE1-NE 3.64Å; E50-R114 PolarHBondContact OE1-NE 3.39Å; E50-R114 IonicContact OE1-NH2 2.64Å; E50-R114 PolarHBondContact OE1-NH2 2.89Å; E50-R114 IonicContact OE2-CZ 2.82Å; E50-R114 IonicContact OE2-NH2 3.08Å; E50-R114 PolarHBondContact OE2-NH2 3.3Å; E50-F140 WeakPolarHBondContact CA-O 3.45Å; E50-F140 HydrophobicContact CG-CB 4.44Å; E50-R142 HydrophobicContact CG-CB 4.43Å |
| 51 | F | 78.4 | Confident | 75.7 | Confident | 42 Ų | 42 | 56.1 Ų | 56.1 | 18% | 0.184 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 143.3 | -179.3 | -60.9 | -86.2 | 0 | 0 | 0 | 110.5 | I43 T48 Y139 F140 I141 R142 | I43-F51 HydrophobicContact CB-CE2 3.87Å; I43-F51 HydrophobicContact CB-CZ 3.62Å; I43-F51 HydrophobicContact CD1-CD2 4.46Å; I43-F51 HydrophobicContact CD1-CE2 3.88Å; I43-F51 HydrophobicContact CG1-CE2 4.47Å; I43-F51 HydrophobicContact CG2-CD1 4.46Å; I43-F51 HydrophobicContact CG2-CD2 4.46Å; I43-F51 HydrophobicContact CG2-CE1 3.68Å; I43-F51 HydrophobicContact CG2-CE2 3.66Å; I43-F51 HydrophobicContact CG2-CZ 3.22Å; T48-F51 WeakPolarHBondContact O-CZ 3.46Å; T48-F51 VanDerWaalsContact OG1-CE1 3.29Å; T48-F51 WeakPolarHBondContact OG1-CE1 3.35Å; T48-F51 WeakPolarHBondContact OG1-CZ 3.42Å; F51-Y139 AromaticContact CE2-CD1 3.89Å; F51-Y139 HydrophobicContact CE2-CD1 3.89Å; F51-Y139 HydrophobicContact CE2-CE1 4.27Å; F51-F140 PolarHBondContact N-O 3.49Å; F51-I141 HydrophobicContact CB-CG1 4.42Å; F51-I141 CarbonylContact O-C 3.56Å; F51-I141 VanDerWaalsContact O-CA 3.31Å; F51-I141 WeakPolarHBondContact O-CA 3.28Å; F51-R142 PolarHBondContact O-N 2.9Å |
| 52 | E | 81 | Confident | 75.6 | Confident | 120 Ų | 120 | 59.4 Ų | 59.4 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 135 | -174.5 | -64.4 | -178.6 | 168.3 | 0 | 0 | 112 | R142 | E52-R142 WeakPolarHBondContact CA-O 3.46Å |
| 53 | F | 77.9 | Confident | 75.7 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 17% | 0.167 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 141.3 | 176 | -87.7 | -90.8 | 0 | 0 | 0 | 111.3 | I61 I107 I141 R142 V143 E144 | F53-I61 HydrophobicContact CE2-CD1 4.01Å; F53-I61 HydrophobicContact CE2-CG1 4.04Å; F53-I61 HydrophobicContact CZ-CD1 4.43Å; F53-I61 HydrophobicContact CZ-CG1 4.04Å; F53-I107 HydrophobicContact CD1-CD1 3.97Å; F53-I107 HydrophobicContact CD2-CD1 3.95Å; F53-I107 HydrophobicContact CE1-CD1 3.76Å; F53-I107 HydrophobicContact CE1-CG1 4.45Å; F53-I107 HydrophobicContact CE2-CD1 3.7Å; F53-I107 HydrophobicContact CG-CD1 4.08Å; F53-I107 HydrophobicContact CZ-CD1 3.61Å; F53-I141 HydrophobicContact CB-CG2 4.12Å; F53-I141 HydrophobicContact CD2-CG2 3.79Å; F53-I141 HydrophobicContact CG-CG2 4.31Å; F53-R142 PolarHBondContact N-O 3.24Å; F53-V143 CarbonylContact O-C 3.57Å; F53-V143 VanDerWaalsContact O-CA 3.24Å; F53-V143 WeakPolarHBondContact O-CA 3.36Å; F53-E144 PolarHBondContact O-N 3.3Å |
| 54 | P | 74.6 | Confident | 76 | Confident | 61 Ų | 61 | 60.3 Ų | 60.3 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 145.3 | 172.3 | 20.5 | -19.3 | 0 | 0 | 0 | 111.7 | T57 S109 E144 | P54-T57 HydrophobicContact CB-CG2 3.98Å; P54-T57 HydrophobicContact CG-CG2 3.77Å; P54-T57 WeakPolarHBondContact CG-OG1 3.47Å; P54-T57 PolarHBondContact O-OG1 2.99Å; P54-S109 WeakPolarHBondContact O-CB 3.38Å; P54-S109 PolarHBondContact O-OG 2.87Å; P54-E144 CarbonylContact C-O 3.54Å |
| 55 | E | 79.5 | Confident | 76.6 | Confident | 28 Ų | 28 | 57.9 Ų | 57.9 | 13% | 0.131 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 149.4 | 176.2 | -159.9 | -165.6 | 170.4 | 0 | 0 | 111.2 | T57 G110 P112 V143 E144 P145 S146 | E55-T57 PolarHBondContact O-N 2.9Å; E55-G110 WeakPolarHBondContact CG-O 3.19Å; E55-P112 HydrophobicContact CG-CG 4.29Å; E55-P112 WeakPolarHBondContact OE1-CD 3.47Å; E55-V143 HydrophobicContact CB-CG1 3.95Å; E55-V143 HydrophobicContact CG-CG1 4.24Å; E55-E144 VanDerWaalsContact CB-O 3.28Å; E55-E144 WeakPolarHBondContact CB-O 3.5Å; E55-E144 PolarHBondContact N-O 2.82Å; E55-P145 VanDerWaalsContact OE2-CA 3.31Å; E55-P145 WeakPolarHBondContact OE2-CA 3.34Å; E55-S146 PolarHBondContact OE2-N 2.72Å |
| 56 | N | 76.3 | Confident | 77.3 | Confident | 112 Ų | 112 | 61.1 Ų | 61.1 | 60% | 0.599 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 33.1 | 177 | -59.2 | -47.4 | 0 | 0 | 0 | 114.5 | S109 | N56-S109 WeakPolarHBondContact CA-O 3.49Å; N56-S109 PolarHBondContact N-O 2.89Å; N56-S109 PolarHBondContact N-OG 3.23Å |
| 57 | T | 75.1 | Confident | 78 | Confident | 48 Ų | 48 | 63.1 Ų | 63.1 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | trans | -120.3 | 157.8 | 176.4 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | P54 E55 R108 S109 | P54-T57 HydrophobicContact CB-CG2 3.98Å; P54-T57 HydrophobicContact CG-CG2 3.77Å; P54-T57 WeakPolarHBondContact CG-OG1 3.47Å; P54-T57 PolarHBondContact O-OG1 2.99Å; E55-T57 PolarHBondContact O-N 2.9Å; T57-R108 WeakPolarHBondContact O-CA 3.42Å; T57-S109 PolarHBondContact N-OG 3Å; T57-S109 PolarHBondContact O-N 2.87Å; T57-S109 PolarHBondContact O-OG 3.32Å; T57-S109 VanDerWaalsContact O-OG 3.07Å; T57-S109 PolarHBondContact OG1-OG 3.43Å | ||
| 58 | E | 82.3 | Confident | 78.2 | Confident | 127 Ų | 127 | 68.9 Ų | 68.9 | 59% | 0.593 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 140.5 | 171.7 | -62.4 | -169.9 | 159.6 | 0 | 0 | 109.7 | I107 R108 | E58-I107 WeakPolarHBondContact CA-O 3.45Å; E58-R108 HydrophobicContact CG-CB 4.31Å; E58-R108 HydrophobicContact CG-CG 4.34Å; E58-R108 IonicContact OE1-CZ 3.2Å; E58-R108 VanDerWaalsContact OE1-CZ 3.31Å; E58-R108 IonicContact OE1-NE 3.26Å; E58-R108 PolarHBondContact OE1-NE 3.07Å; E58-R108 VanDerWaalsContact OE1-NE 3.09Å; E58-R108 IonicContact OE1-NH2 2.95Å; E58-R108 PolarHBondContact OE1-NH2 2.84Å |
| 59 | G | 77 | Confident | 78.1 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 13% | 0.134 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 168.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S106 I107 | G59-S106 WeakPolarHBondContact O-CA 3.47Å; G59-I107 PolarHBondContact N-O 2.93Å; G59-I107 WeakPolarHBondContact O-CG1 3.26Å; G59-I107 PolarHBondContact O-N 3.11Å |
| 60 | V | 79.7 | Confident | 76.8 | Confident | 86 Ų | 86 | 68.2 Ų | 68.2 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 135.2 | 179.7 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | I104 I105 | V60-I104 HydrophobicContact CG1-CG2 3.28Å; V60-I105 CarbonylContact C-O 3.41Å; V60-I105 VanDerWaalsContact CA-O 3.32Å; V60-I105 WeakPolarHBondContact CA-O 3.26Å |
| 61 | I | 79.9 | Confident | 75.7 | Confident | 12 Ų | 12 | 65.3 Ų | 65.3 | 6% | 0.062 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.8 | 174.6 | -62.2 | 176 | 0 | 0 | 0 | 109 | I43 F53 I105 I107 I141 | I43-I61 HydrophobicContact CD1-CG2 4.19Å; I43-I61 HydrophobicContact CG1-CG2 4.27Å; I43-I61 HydrophobicContact CG2-CG2 3.93Å; F53-I61 HydrophobicContact CE2-CD1 4.01Å; F53-I61 HydrophobicContact CE2-CG1 4.04Å; F53-I61 HydrophobicContact CZ-CD1 4.43Å; F53-I61 HydrophobicContact CZ-CG1 4.04Å; I61-I105 HydrophobicContact CB-CB 4.43Å; I61-I105 HydrophobicContact CB-CD1 4.48Å; I61-I105 HydrophobicContact CG2-CD1 4.4Å; I61-I105 PolarHBondContact N-O 3.42Å; I61-I105 PolarHBondContact O-N 2.89Å; I61-I107 HydrophobicContact CD1-CD1 3.57Å; I61-I107 HydrophobicContact CD1-CG1 4.44Å; I61-I107 HydrophobicContact CD1-CG2 4.49Å; I61-I107 HydrophobicContact CG1-CD1 3.93Å; I61-I141 HydrophobicContact CD1-CD1 3.32Å; I61-I141 HydrophobicContact CD1-CG1 4.12Å |
| 62 | V | 80.2 | Confident | 74.9 | Confident | 71 Ų | 71 | 74.4 Ų | 74.4 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 120.6 | 177.3 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | F103 | V62-F103 CarbonylContact C-O 3.6Å; V62-F103 WeakPolarHBondContact CA-O 3.39Å |
| 63 | I | 82.8 | Confident | 74.4 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.9 | 171.6 | -67.7 | -171.5 | 0 | 0 | 0 | 109.3 | I41 I43 V76 V78 S102 F103 I105 I119 | I41-I63 HydrophobicContact CG2-CG2 3.58Å; I43-I63 HydrophobicContact CD1-CG1 4.48Å; I43-I63 HydrophobicContact CG1-CD1 4.35Å; I43-I63 HydrophobicContact CG1-CG1 3.78Å; I63-V76 HydrophobicContact CD1-CG1 4.38Å; I63-V78 HydrophobicContact CD1-CG2 3.95Å; I63-S102 CarbonylContact O-C 3.55Å; I63-S102 WeakPolarHBondContact O-CA 3.42Å; I63-F103 HydrophobicContact CB-CB 4.41Å; I63-F103 PolarHBondContact N-O 2.94Å; I63-F103 PolarHBondContact O-N 2.89Å; I63-I105 HydrophobicContact CB-CD1 4.39Å; I63-I105 HydrophobicContact CD1-CD1 3.28Å; I63-I105 HydrophobicContact CG1-CD1 3.48Å; I63-I105 VanDerWaalsContact CG1-CD1 3.48Å; I63-I119 HydrophobicContact CD1-CB 4.48Å; I63-I119 HydrophobicContact CD1-CD1 3.7Å; I63-I119 HydrophobicContact CD1-CG1 3.96Å; I63-I119 HydrophobicContact CD1-CG2 3.67Å |
| 64 | S | 81.9 | Confident | 74.4 | Confident | 38 Ų | 38 | 72.9 Ų | 72.9 | 27% | 0.266 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 138.3 | 171.7 | -61.1 | 0 | 0 | 0 | 0 | 110.5 | I41 S42 G101 | I41-S64 WeakPolarHBondContact CA-O 3.36Å; S42-S64 PolarHBondContact N-O 3.47Å; S42-S64 PolarHBondContact O-N 3.05Å; S64-G101 CarbonylContact C-O 3.55Å; S64-G101 WeakPolarHBondContact CA-O 3.32Å |
| 65 | S | 82.3 | Confident | 74.7 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 126.4 | 172.7 | 173 | 0 | 0 | 0 | 0 | 110.1 | Y40 Y67 Q74 A100 G101 | Y40-S65 CarbonylContact O-C 3.55Å; Y40-S65 WeakPolarHBondContact O-CA 3.29Å; S65-Y67 PolarHBondContact OG-N 3.19Å; S65-Q74 PolarHBondContact OG-OE1 3.31Å; S65-A100 CarbonylContact O-C 3.52Å; S65-A100 WeakPolarHBondContact O-CA 3.26Å; S65-A100 WeakPolarHBondContact O-CB 3.29Å; S65-G101 PolarHBondContact N-O 3.38Å; S65-G101 PolarHBondContact O-N 3.37Å |
| 66 | R | 79.8 | Confident | 74.9 | Confident | 175 Ų | 175 | 72.3 Ų | 72.3 | 66% | 0.66 | 37% | 0.365 | S | S | * | . | trans | -96 | 6.1 | 173.5 | -61.6 | -175.5 | -175.4 | -174.6 | 2.6 | 112.7 | Y40 R68 | Y40-R66 PolarHBondContact O-N 3.39Å; R66-R68 PolarHBondContact O-N 2.88Å | ||
| 67 | Y | 76.8 | Confident | 75.5 | Confident | 49 Ų | 49 | 72.2 Ų | 72.2 | 19% | 0.192 | 36% | 0.356 | C | S | . | . | trans | -68 | 122.1 | -178.5 | -176.2 | -112.2 | 0 | 0 | 0 | 111.5 | Y40 S65 Q74 L121 D123 I133 | Y40-Y67 AromaticContact CD1-CD2 3.85Å; Y40-Y67 HydrophobicContact CD1-CD2 3.85Å; Y40-Y67 HydrophobicContact CD1-CG 4.45Å; Y40-Y67 HydrophobicContact CD2-CD2 4.02Å; Y40-Y67 AromaticContact CE1-CD2 3.85Å; Y40-Y67 HydrophobicContact CE1-CD2 3.85Å; Y40-Y67 HydrophobicContact CE2-CD2 4.02Å; Y40-Y67 HydrophobicContact CE2-CE2 4.46Å; Y40-Y67 AromaticContact CG-CD2 3.94Å; Y40-Y67 HydrophobicContact CG-CD2 3.94Å; Y40-Y67 HydrophobicContact CG-CG 4.42Å; Y40-Y67 AromaticContact CZ-CD2 3.94Å; S65-Y67 PolarHBondContact OG-N 3.19Å; Y67-Q74 PolarHBondContact O-NE2 3.47Å; Y67-L121 HydrophobicContact CG-CD2 4.24Å; Y67-D123 HydrophobicContact CE1-CB 4.23Å; Y67-I133 HydrophobicContact CD1-CG1 4.49Å; Y67-I133 HydrophobicContact CD1-CG2 4.29Å; Y67-I133 HydrophobicContact CD2-CG2 3.69Å; Y67-I133 HydrophobicContact CE1-CD1 4.13Å; Y67-I133 HydrophobicContact CE1-CG1 4.03Å; Y67-I133 HydrophobicContact CE1-CG2 4.22Å; Y67-I133 HydrophobicContact CE2-CG2 3.62Å; Y67-I133 HydrophobicContact CG-CG2 4.04Å | ||
| 68 | R | 68.6 | Low | 76.1 | Confident | 192 Ų | 192 | 70.5 Ų | 70.5 | 73% | 0.725 | 35% | 0.345 | S | S | * | . | trans | -101 | 76.3 | 174.5 | -69.4 | -172.7 | 179.5 | -179 | 1.7 | 110 | R66 P99 | R66-R68 PolarHBondContact O-N 2.88Å; R68-P99 VanDerWaalsContact NH2-CB 3.27Å | ||
| 69 | G | 64 | Low | 76.4 | Confident | 19 Ų | 19 | 71.1 Ų | 71.1 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | trans | -79.4 | 162.3 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 70 | S | 54.2 | Low | 77 | Confident | 125 Ų | 125 | 71.5 Ų | 71.5 | 87% | 0.874 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -71.9 | -29.6 | 177.5 | -165.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 71 | S | 58.3 | Low | 77.4 | Confident | 15 Ų | 15 | 72.2 Ų | 72.2 | 11% | 0.105 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -86.9 | 144.2 | 177.3 | 179.5 | 0 | 0 | 0 | 0 | 111.9 | N73 D123 R124 | S71-N73 PolarHBondContact O-N 3.41Å; S71-N73 PolarHBondContact OG-N 3.37Å; S71-D123 WeakPolarHBondContact CB-OD1 3.49Å; S71-R124 WeakPolarHBondContact CB-O 3.22Å; S71-R124 PolarHBondContact OG-O 3.04Å |
| 72 | R | 60.9 | Low | 77.7 | Confident | 233 Ų | 233 | 74.2 Ų | 74.2 | 88% | 0.879 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -78.4 | -1.8 | 173.6 | -77 | -173.4 | 176 | -170.4 | -1.1 | 112.9 | ||
| 73 | N | 69.9 | Low | 78 | Confident | 100 Ų | 100 | 75.2 Ų | 75.2 | 54% | 0.535 | 36% | 0.362 | S | S | . | . | trans | -114.8 | 66 | -164.6 | -134.1 | 15.1 | 0 | 0 | 0 | 112.3 | S71 R124 | S71-N73 PolarHBondContact O-N 3.41Å; S71-N73 PolarHBondContact OG-N 3.37Å; N73-R124 PolarHBondContact O-N 2.96Å | ||
| 74 | Q | 77.6 | Confident | 77.9 | Confident | 25 Ų | 25 | 82 Ų | 82 | 12% | 0.117 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 140.2 | 175 | -64.2 | -179.7 | 14.6 | 0 | 0 | 110.6 | S65 Y67 F103 | S65-Q74 PolarHBondContact OG-OE1 3.31Å; Y67-Q74 PolarHBondContact O-NE2 3.47Å; Q74-F103 HydrophobicContact CB-CZ 4.05Å |
| 75 | T | 80.9 | Confident | 77.8 | Confident | 65 Ų | 65 | 80.7 Ų | 80.7 | 40% | 0.399 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 142.3 | 174.8 | 55.9 | 0 | 0 | 0 | 0 | 110 | L122 | T75-L122 PolarHBondContact N-O 2.95Å; T75-L122 PolarHBondContact O-N 2.9Å; T75-L122 VanDerWaalsContact O-O 3.11Å |
| 76 | V | 85.1 | Confident | 78.1 | Confident | 13 Ų | 13 | 80.7 Ų | 80.7 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.8 | 173.7 | 174.1 | 0 | 0 | 0 | 0 | 108.5 | I63 V78 V91 F103 I119 Q120 L121 | I63-V76 HydrophobicContact CD1-CG1 4.38Å; V76-V78 HydrophobicContact CG1-CG2 3.66Å; V76-V91 WeakPolarHBondContact O-CG1 3.34Å; V76-F103 HydrophobicContact CB-CB 4.4Å; V76-F103 HydrophobicContact CB-CD1 4.06Å; V76-F103 HydrophobicContact CB-CD2 4.21Å; V76-F103 HydrophobicContact CB-CE1 4.4Å; V76-F103 HydrophobicContact CB-CG 3.95Å; V76-F103 HydrophobicContact CG2-CB 4.43Å; V76-F103 HydrophobicContact CG2-CD1 3.94Å; V76-F103 HydrophobicContact CG2-CD2 3.38Å; V76-F103 HydrophobicContact CG2-CE1 3.98Å; V76-F103 HydrophobicContact CG2-CE2 3.43Å; V76-F103 VanDerWaalsContact CG2-CE2 3.43Å; V76-F103 HydrophobicContact CG2-CG 3.64Å; V76-F103 HydrophobicContact CG2-CZ 3.74Å; V76-I119 HydrophobicContact CG1-CG2 3.94Å; V76-Q120 WeakPolarHBondContact CA-O 3.46Å; V76-L121 HydrophobicContact CG2-CD1 3.72Å |
| 77 | R | 88.2 | Confident | 78.5 | Confident | 110 Ų | 110 | 74.1 Ų | 74.1 | 42% | 0.415 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122.7 | 171.1 | -176.8 | -178.6 | -65.4 | 146.1 | -0.3 | 108.1 | Q120 L122 | R77-Q120 HydrophobicContact CB-CB 4.32Å; R77-Q120 PolarHBondContact N-O 3.47Å; R77-Q120 PolarHBondContact O-N 3.38Å; R77-L122 HydrophobicContact CB-CD1 3.86Å |
| 78 | V | 87.8 | Confident | 79.1 | Confident | 11 Ų | 11 | 73.8 Ų | 73.8 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 132.1 | 176.8 | -174.1 | 0 | 0 | 0 | 0 | 109 | I63 V76 V88 V91 I105 L117 Q118 I119 | I63-V78 HydrophobicContact CD1-CG2 3.95Å; V76-V78 HydrophobicContact CG1-CG2 3.66Å; V78-V88 HydrophobicContact CG1-CG2 4.21Å; V78-V91 HydrophobicContact CB-CG2 4.34Å; V78-V91 HydrophobicContact CG2-CG2 4.4Å; V78-I105 HydrophobicContact CB-CD1 4.3Å; V78-I105 HydrophobicContact CG1-CD1 4.37Å; V78-I105 HydrophobicContact CG2-CD1 3.56Å; V78-I105 HydrophobicContact CG2-CG1 4.01Å; V78-L117 HydrophobicContact CG1-CD2 4.34Å; V78-Q118 CarbonylContact C-O 3.55Å; V78-Q118 WeakPolarHBondContact CA-O 3.4Å; V78-I119 HydrophobicContact CG1-CG1 4.03Å; V78-I119 HydrophobicContact CG2-CG1 4.15Å; V78-I119 HydrophobicContact CG2-CG2 4.25Å |
| 79 | R | 88.9 | Confident | 79.9 | Confident | 141 Ų | 141 | 68.5 Ų | 68.5 | 53% | 0.532 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 136.3 | 175 | -69.6 | -177.4 | 171.1 | 178.9 | -3.7 | 109.2 | Q118 | R79-Q118 HydrophobicContact CB-CB 4.39Å; R79-Q118 PolarHBondContact N-O 3.12Å; R79-Q118 PolarHBondContact O-N 3.07Å |
| 80 | S | 89.7 | Confident | 80.9 | Confident | 21 Ų | 21 | 71 Ų | 71 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 133.1 | 162.6 | -177 | 0 | 0 | 0 | 0 | 108.4 | D82 L86 | S80-D82 PolarHBondContact OG-N 3.42Å; S80-D82 PolarHBondContact OG-O 3.28Å; S80-L86 WeakPolarHBondContact CB-O 3.47Å; S80-L86 PolarHBondContact OG-O 2.94Å |
| 81 | L | 88.6 | Confident | 82.4 | Confident | 101 Ų | 101 | 67.5 Ų | 67.5 | 53% | 0.529 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -79.8 | -10.5 | 172.5 | -65 | -179.6 | 0 | 0 | 0 | 112.1 | P116 Q118 | L81-P116 HydrophobicContact CB-CB 4.29Å; L81-P116 HydrophobicContact CD1-CB 4.11Å; L81-P116 PolarHBondContact N-O 2.81Å; L81-Q118 HydrophobicContact CD2-CB 4.32Å; L81-Q118 HydrophobicContact CG-CB 4.42Å |
| 82 | D | 86 | Confident | 83.5 | Confident | 54 Ų | 54 | 70 Ų | 70 | 29% | 0.289 | 35% | 0.351 | S | S | . | . | trans | -130.6 | 88.9 | 174.3 | -165.3 | -25.6 | 0 | 0 | 0 | 110.1 | S80 E84 V85 L86 A115 | S80-D82 PolarHBondContact OG-N 3.42Å; S80-D82 PolarHBondContact OG-O 3.28Å; D82-E84 VanDerWaalsContact C-N 3.26Å; D82-E84 PolarHBondContact O-N 3.02Å; D82-E84 PolarHBondContact OD1-N 3.38Å; D82-V85 HydrophobicContact CB-CB 4.29Å; D82-V85 HydrophobicContact CB-CG2 4.44Å; D82-V85 PolarHBondContact O-N 3.49Å; D82-V85 PolarHBondContact OD1-N 2.87Å; D82-V85 WeakPolarHBondContact OD2-CG2 3.46Å; D82-L86 PolarHBondContact O-N 3.41Å; D82-L86 VanDerWaalsContact O-O 3.13Å; D82-A115 HydrophobicContact CB-CB 4.3Å | ||
| 83 | P | 85.1 | Confident | 84.1 | Confident | 92 Ų | 92 | 62.9 Ų | 62.9 | 60% | 0.597 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -16.6 | -175.5 | 29 | -34.3 | 0 | 0 | 0 | 113.7 | L86 | P83-L86 WeakPolarHBondContact CA-O 3.43Š|
| 84 | E | 81.8 | Confident | 83.6 | Confident | 142 Ų | 142 | 58.8 Ų | 58.8 | 66% | 0.664 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -32.7 | 175.6 | -64.5 | -169.2 | 175.3 | 0 | 0 | 111.4 | D82 G110 F111 | D82-E84 VanDerWaalsContact C-N 3.26Å; D82-E84 PolarHBondContact O-N 3.02Å; D82-E84 PolarHBondContact OD1-N 3.38Å; E84-G110 CarbonylContact O-C 3.6Å; E84-G110 WeakPolarHBondContact O-CA 3.43Å; E84-F111 HydrophobicContact CB-CD2 4.32Å; E84-F111 PolarHBondContact O-N 3.47Å |
| 85 | V | 80 | Confident | 82.7 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 7% | 0.067 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -41.7 | 174.4 | 175.8 | 0 | 0 | 0 | 0 | 111 | D82 G110 F111 A115 V143 | D82-V85 HydrophobicContact CB-CB 4.29Å; D82-V85 HydrophobicContact CB-CG2 4.44Å; D82-V85 PolarHBondContact O-N 3.49Å; D82-V85 PolarHBondContact OD1-N 2.87Å; D82-V85 WeakPolarHBondContact OD2-CG2 3.46Å; V85-G110 PolarHBondContact O-N 3.26Å; V85-F111 WeakPolarHBondContact CG1-O 3.22Å; V85-A115 HydrophobicContact CB-CB 4.07Å; V85-A115 HydrophobicContact CG1-CB 3.75Å; V85-V143 HydrophobicContact CG1-CB 3.9Å; V85-V143 HydrophobicContact CG1-CG2 3.72Å; V85-V143 WeakPolarHBondContact O-CG2 3.49Å |
| 86 | L | 87.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 126.2 | -176.9 | -173 | 91.9 | 0 | 0 | 0 | 112.1 | S80 D82 P83 I107 A115 L117 I141 V143 | S80-L86 WeakPolarHBondContact CB-O 3.47Å; S80-L86 PolarHBondContact OG-O 2.94Å; D82-L86 PolarHBondContact O-N 3.41Å; D82-L86 VanDerWaalsContact O-O 3.13Å; P83-L86 WeakPolarHBondContact CA-O 3.43Å; L86-I107 HydrophobicContact CD1-CB 4.23Å; L86-I107 HydrophobicContact CD1-CD1 3.88Å; L86-I107 HydrophobicContact CD2-CG2 4.48Å; L86-A115 HydrophobicContact CB-CB 3.56Å; L86-A115 HydrophobicContact CD2-CB 4.35Å; L86-L117 HydrophobicContact CD2-CD2 3.86Å; L86-I141 HydrophobicContact CD1-CD1 4.25Å; L86-I141 HydrophobicContact CD1-CG2 3.88Å; L86-I141 HydrophobicContact CD2-CB 4.09Å; L86-I141 HydrophobicContact CD2-CD1 3.24Å; L86-I141 HydrophobicContact CD2-CG1 4.26Å; L86-I141 HydrophobicContact CD2-CG2 4.36Å; L86-I141 HydrophobicContact CG-CD1 4.36Å; L86-V143 HydrophobicContact CD1-CG2 4.25Å |
| 87 | S | 88.9 | Confident | 79.6 | Confident | 38 Ų | 38 | 72.7 Ų | 72.7 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 135.2 | 175.4 | 62.6 | 0 | 0 | 0 | 0 | 111.7 | I107 R108 | S87-I107 CarbonylContact O-C 3.54Å; S87-I107 VanDerWaalsContact O-CA 3.3Å; S87-I107 WeakPolarHBondContact O-CA 3.25Å; S87-R108 PolarHBondContact N-O 3.47Å; S87-R108 PolarHBondContact O-N 3.42Å; S87-R108 WeakPolarHBondContact OG-CB 3.38Å; S87-R108 PolarHBondContact OG-O 3.18Å |
| 88 | V | 88.4 | Confident | 77.9 | Confident | 42 Ų | 42 | 69.9 Ų | 69.9 | 26% | 0.255 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 115.6 | 172.8 | 179.6 | 0 | 0 | 0 | 0 | 108 | V78 V91 I105 I107 | V78-V88 HydrophobicContact CG1-CG2 4.21Å; V88-V91 HydrophobicContact CG1-CG2 4.26Å; V88-I105 HydrophobicContact CG1-CG2 3.74Å; V88-I107 HydrophobicContact CG2-CG2 4.37Å |
| 89 | L | 85.9 | Confident | 76.2 | Confident | 81 Ų | 81 | 73 Ų | 73 | 42% | 0.424 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -50 | -175.8 | -60.7 | 178.1 | 0 | 0 | 0 | 111.7 | S106 R108 | L89-S106 WeakPolarHBondContact CB-O 3.36Å; L89-S106 PolarHBondContact N-O 3.42Å; L89-R108 HydrophobicContact CD1-CB 4Å; L89-R108 HydrophobicContact CD2-CB 4.16Å; L89-R108 HydrophobicContact CG-CB 4.13Å |
| 90 | N | 85.9 | Confident | 74.8 | Confident | 72 Ų | 72 | 67.8 Ų | 67.8 | 39% | 0.385 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 160.4 | 179.2 | 71.6 | 22.2 | 0 | 0 | 0 | 111.9 | I105 S106 | N90-I105 WeakPolarHBondContact O-CA 3.25Å; N90-S106 PolarHBondContact N-O 2.99Å; N90-S106 PolarHBondContact O-N 3.37Å; N90-S106 WeakPolarHBondContact OD1-CB 3.32Å; N90-S106 PolarHBondContact OD1-N 3.03Å; N90-S106 PolarHBondContact OD1-OG 2.95Å |
| 91 | V | 85.3 | Confident | 73.9 | Confident | 51 Ų | 51 | 67.5 Ų | 67.5 | 31% | 0.309 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 121.8 | 168.1 | -173.3 | 0 | 0 | 0 | 0 | 107.2 | V76 V78 V88 I105 | V76-V91 WeakPolarHBondContact O-CG1 3.34Å; V78-V91 HydrophobicContact CB-CG2 4.34Å; V78-V91 HydrophobicContact CG2-CG2 4.4Å; V88-V91 HydrophobicContact CG1-CG2 4.26Å; V91-I105 HydrophobicContact CG1-CG1 4.15Å; V91-I105 HydrophobicContact CG2-CG1 4.22Å; V91-I105 HydrophobicContact CG2-CG2 4.32Å |
| 92 | T | 80.1 | Confident | 73.5 | Confident | 67 Ų | 67 | 64.2 Ų | 64.2 | 41% | 0.411 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142.8 | -179.9 | 54.8 | 0 | 0 | 0 | 0 | 109.7 | G94 F103 I104 | T92-G94 PolarHBondContact O-N 2.89Å; T92-F103 CarbonylContact O-C 3.6Å; T92-F103 WeakPolarHBondContact O-CA 3.33Å; T92-I104 PolarHBondContact N-O 3.25Å; T92-I104 PolarHBondContact O-N 3.46Å; T92-I104 PolarHBondContact OG1-O 3.16Å |
| 93 | A | 74.4 | Confident | 73.3 | Confident | 83 Ų | 83 | 62.2 Ų | 62.2 | 69% | 0.686 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 117.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | F103 | A93-F103 HydrophobicContact CB-CD1 4.42Å; A93-F103 HydrophobicContact CB-CE1 4.44Å |
| 94 | G | 59.3 | Low | 73.1 | Confident | 15 Ų | 15 | 60.8 Ų | 60.8 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 147.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | T92 S102 | T92-G94 PolarHBondContact O-N 2.89Å; G94-S102 CarbonylContact C-O 3.46Å; G94-S102 VanDerWaalsContact CA-O 3.3Å; G94-S102 WeakPolarHBondContact CA-O 3.19Å; G94-S102 VanDerWaalsContact CA-OG 3.25Å; G94-S102 WeakPolarHBondContact CA-OG 3.47Å; G94-S102 PolarHBondContact N-O 3.39Å; G94-S102 VanDerWaalsContact O-O 3.05Å; G94-S102 PolarHBondContact O-OG 3.13Å |
| 95 | G | 58.3 | Low | 73.2 | Confident | 59 Ų | 59 | 54.1 Ų | 54.1 | 61% | 0.608 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 156.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E97 S102 | G95-E97 PolarHBondContact O-N 3.5Å; G95-S102 PolarHBondContact O-OG 3.29Å |
| 96 | R | 55.2 | Low | 73.3 | Confident | 147 Ų | 147 | 54.9 Ų | 54.9 | 56% | 0.555 | 34% | 0.341 | S | S | * | . | trans | -87.9 | 90.6 | 179.9 | -152.7 | -178.7 | -169.8 | 179 | 5.4 | 109.8 | G98 | R96-G98 PolarHBondContact O-N 3.15Š| ||
| 97 | E | 46.3 | Very low | 73.4 | Confident | 188 Ų | 188 | 55 Ų | 55 | 88% | 0.879 | 34% | 0.342 | S | S | * | . | trans | -88.2 | 92.6 | 169.5 | -72.8 | -171.6 | 165.4 | 0 | 0 | 109.5 | G95 | G95-E97 PolarHBondContact O-N 3.5Š| ||
| 98 | G | 53.6 | Low | 73.2 | Confident | 51 Ų | 51 | 58.9 Ų | 58.9 | 53% | 0.526 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -153.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R96 A100 | R96-G98 PolarHBondContact O-N 3.15Å; G98-A100 PolarHBondContact O-N 2.91Å |
| 99 | P | 52 | Low | 73.1 | Confident | 78 Ų | 78 | 57.1 Ų | 57.1 | 51% | 0.506 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -2.3 | -173.2 | 29.4 | -33.6 | 0 | 0 | 0 | 114.9 | R68 | R68-P99 VanDerWaalsContact NH2-CB 3.27Š|
| 100 | A | 59.5 | Low | 72.8 | Confident | 31 Ų | 31 | 54.2 Ų | 54.2 | 26% | 0.256 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -108.7 | 140.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S65 G98 | S65-A100 CarbonylContact O-C 3.52Å; S65-A100 WeakPolarHBondContact O-CA 3.26Å; S65-A100 WeakPolarHBondContact O-CB 3.29Å; G98-A100 PolarHBondContact O-N 2.91Å |
| 101 | G | 70.4 | Confident | 72.4 | Confident | 14 Ų | 14 | 57 Ų | 57 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 142.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S64 S65 | S64-G101 CarbonylContact C-O 3.55Å; S64-G101 WeakPolarHBondContact CA-O 3.32Å; S65-G101 PolarHBondContact N-O 3.38Å; S65-G101 PolarHBondContact O-N 3.37Å |
| 102 | S | 78.8 | Confident | 72 | Confident | 33 Ų | 33 | 57.5 Ų | 57.5 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 144 | 173.7 | 68.1 | 0 | 0 | 0 | 0 | 110.2 | I63 G94 G95 | I63-S102 CarbonylContact O-C 3.55Å; I63-S102 WeakPolarHBondContact O-CA 3.42Å; G94-S102 CarbonylContact C-O 3.46Å; G94-S102 VanDerWaalsContact CA-O 3.3Å; G94-S102 WeakPolarHBondContact CA-O 3.19Å; G94-S102 VanDerWaalsContact CA-OG 3.25Å; G94-S102 WeakPolarHBondContact CA-OG 3.47Å; G94-S102 PolarHBondContact N-O 3.39Å; G94-S102 VanDerWaalsContact O-O 3.05Å; G94-S102 PolarHBondContact O-OG 3.13Å; G95-S102 PolarHBondContact O-OG 3.29Å |
| 103 | F | 82.1 | Confident | 72.1 | Confident | 11 Ų | 11 | 55.5 Ų | 55.5 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 131 | 178.1 | -59.1 | -88.5 | 0 | 0 | 0 | 109 | V62 I63 Q74 V76 T92 A93 | V62-F103 CarbonylContact C-O 3.6Å; V62-F103 WeakPolarHBondContact CA-O 3.39Å; I63-F103 HydrophobicContact CB-CB 4.41Å; I63-F103 PolarHBondContact N-O 2.94Å; I63-F103 PolarHBondContact O-N 2.89Å; Q74-F103 HydrophobicContact CB-CZ 4.05Å; V76-F103 HydrophobicContact CB-CB 4.4Å; V76-F103 HydrophobicContact CB-CD1 4.06Å; V76-F103 HydrophobicContact CB-CD2 4.21Å; V76-F103 HydrophobicContact CB-CE1 4.4Å; V76-F103 HydrophobicContact CB-CG 3.95Å; V76-F103 HydrophobicContact CG2-CB 4.43Å; V76-F103 HydrophobicContact CG2-CD1 3.94Å; V76-F103 HydrophobicContact CG2-CD2 3.38Å; V76-F103 HydrophobicContact CG2-CE1 3.98Å; V76-F103 HydrophobicContact CG2-CE2 3.43Å; V76-F103 VanDerWaalsContact CG2-CE2 3.43Å; V76-F103 HydrophobicContact CG2-CG 3.64Å; V76-F103 HydrophobicContact CG2-CZ 3.74Å; T92-F103 CarbonylContact O-C 3.6Å; T92-F103 WeakPolarHBondContact O-CA 3.33Å; A93-F103 HydrophobicContact CB-CD1 4.42Å; A93-F103 HydrophobicContact CB-CE1 4.44Å |
| 104 | I | 80.8 | Confident | 72.7 | Confident | 62 Ų | 62 | 58.4 Ų | 58.4 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.4 | -177.7 | -59.2 | 178.5 | 0 | 0 | 0 | 108 | V60 T92 | V60-I104 HydrophobicContact CG1-CG2 3.28Å; T92-I104 PolarHBondContact N-O 3.25Å; T92-I104 PolarHBondContact O-N 3.46Å; T92-I104 PolarHBondContact OG1-O 3.16Å |
| 105 | I | 84.7 | Confident | 74.1 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 117.5 | -178 | -55.9 | 151.5 | 0 | 0 | 0 | 107.9 | V60 I61 I63 V78 V88 N90 V91 I107 | V60-I105 CarbonylContact C-O 3.41Å; V60-I105 VanDerWaalsContact CA-O 3.32Å; V60-I105 WeakPolarHBondContact CA-O 3.26Å; I61-I105 HydrophobicContact CB-CB 4.43Å; I61-I105 HydrophobicContact CB-CD1 4.48Å; I61-I105 HydrophobicContact CG2-CD1 4.4Å; I61-I105 PolarHBondContact N-O 3.42Å; I61-I105 PolarHBondContact O-N 2.89Å; I63-I105 HydrophobicContact CB-CD1 4.39Å; I63-I105 HydrophobicContact CD1-CD1 3.28Å; I63-I105 HydrophobicContact CG1-CD1 3.48Å; I63-I105 VanDerWaalsContact CG1-CD1 3.48Å; V78-I105 HydrophobicContact CB-CD1 4.3Å; V78-I105 HydrophobicContact CG1-CD1 4.37Å; V78-I105 HydrophobicContact CG2-CD1 3.56Å; V78-I105 HydrophobicContact CG2-CG1 4.01Å; V88-I105 HydrophobicContact CG1-CG2 3.74Å; N90-I105 WeakPolarHBondContact O-CA 3.25Å; V91-I105 HydrophobicContact CG1-CG1 4.15Å; V91-I105 HydrophobicContact CG2-CG1 4.22Å; V91-I105 HydrophobicContact CG2-CG2 4.32Å; I105-I107 HydrophobicContact CG2-CG2 3.84Å |
| 106 | S | 83 | Confident | 75.6 | Confident | 28 Ų | 28 | 56.6 Ų | 56.6 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 129.3 | 170.2 | -49.5 | 0 | 0 | 0 | 0 | 109 | G59 L89 N90 | G59-S106 WeakPolarHBondContact O-CA 3.47Å; L89-S106 WeakPolarHBondContact CB-O 3.36Å; L89-S106 PolarHBondContact N-O 3.42Å; N90-S106 PolarHBondContact N-O 2.99Å; N90-S106 PolarHBondContact O-N 3.37Å; N90-S106 WeakPolarHBondContact OD1-CB 3.32Å; N90-S106 PolarHBondContact OD1-N 3.03Å; N90-S106 PolarHBondContact OD1-OG 2.95Å |
| 107 | I | 88 | Confident | 77.3 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 155.1 | -179 | 54.9 | 164.3 | 0 | 0 | 0 | 110.2 | F53 E58 G59 I61 L86 S87 V88 I105 I141 | F53-I107 HydrophobicContact CD1-CD1 3.97Å; F53-I107 HydrophobicContact CD2-CD1 3.95Å; F53-I107 HydrophobicContact CE1-CD1 3.76Å; F53-I107 HydrophobicContact CE1-CG1 4.45Å; F53-I107 HydrophobicContact CE2-CD1 3.7Å; F53-I107 HydrophobicContact CG-CD1 4.08Å; F53-I107 HydrophobicContact CZ-CD1 3.61Å; E58-I107 WeakPolarHBondContact CA-O 3.45Å; G59-I107 PolarHBondContact N-O 2.93Å; G59-I107 WeakPolarHBondContact O-CG1 3.26Å; G59-I107 PolarHBondContact O-N 3.11Å; I61-I107 HydrophobicContact CD1-CD1 3.57Å; I61-I107 HydrophobicContact CD1-CG1 4.44Å; I61-I107 HydrophobicContact CD1-CG2 4.49Å; I61-I107 HydrophobicContact CG1-CD1 3.93Å; L86-I107 HydrophobicContact CD1-CB 4.23Å; L86-I107 HydrophobicContact CD1-CD1 3.88Å; L86-I107 HydrophobicContact CD2-CG2 4.48Å; S87-I107 CarbonylContact O-C 3.54Å; S87-I107 VanDerWaalsContact O-CA 3.3Å; S87-I107 WeakPolarHBondContact O-CA 3.25Å; V88-I107 HydrophobicContact CG2-CG2 4.37Å; I105-I107 HydrophobicContact CG2-CG2 3.84Å; I107-I141 HydrophobicContact CD1-CD1 4.15Å |
| 108 | R | 86.4 | Confident | 79.5 | Confident | 120 Ų | 120 | 42.8 Ų | 42.8 | 45% | 0.453 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 124 | 168.5 | 173.5 | -171.9 | -64.6 | 175.7 | -0.9 | 108.9 | T57 E58 S87 L89 | T57-R108 WeakPolarHBondContact O-CA 3.42Å; E58-R108 HydrophobicContact CG-CB 4.31Å; E58-R108 HydrophobicContact CG-CG 4.34Å; E58-R108 IonicContact OE1-CZ 3.2Å; E58-R108 VanDerWaalsContact OE1-CZ 3.31Å; E58-R108 IonicContact OE1-NE 3.26Å; E58-R108 PolarHBondContact OE1-NE 3.07Å; E58-R108 VanDerWaalsContact OE1-NE 3.09Å; E58-R108 IonicContact OE1-NH2 2.95Å; E58-R108 PolarHBondContact OE1-NH2 2.84Å; S87-R108 PolarHBondContact N-O 3.47Å; S87-R108 PolarHBondContact O-N 3.42Å; S87-R108 WeakPolarHBondContact OG-CB 3.38Å; S87-R108 PolarHBondContact OG-O 3.18Å; L89-R108 HydrophobicContact CD1-CB 4Å; L89-R108 HydrophobicContact CD2-CB 4.16Å; L89-R108 HydrophobicContact CG-CB 4.13Å |
| 109 | S | 84.4 | Confident | 81.2 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 135.2 | 174.1 | 53.2 | 0 | 0 | 0 | 0 | 110.9 | P54 N56 T57 | P54-S109 WeakPolarHBondContact O-CB 3.38Å; P54-S109 PolarHBondContact O-OG 2.87Å; N56-S109 WeakPolarHBondContact CA-O 3.49Å; N56-S109 PolarHBondContact N-O 2.89Å; N56-S109 PolarHBondContact N-OG 3.23Å; T57-S109 PolarHBondContact N-OG 3Å; T57-S109 PolarHBondContact O-N 2.87Å; T57-S109 PolarHBondContact O-OG 3.32Å; T57-S109 VanDerWaalsContact O-OG 3.07Å; T57-S109 PolarHBondContact OG1-OG 3.43Å |
| 110 | G | 80.3 | Confident | 83 | Confident | 20 Ų | 20 | 38 Ų | 38 | 21% | 0.206 | 20% | 0.202 | C | C | . | . | trans | -101.4 | -127.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | E55 E84 V85 | E55-G110 WeakPolarHBondContact CG-O 3.19Å; E84-G110 CarbonylContact O-C 3.6Å; E84-G110 WeakPolarHBondContact O-CA 3.43Å; V85-G110 PolarHBondContact O-N 3.26Å | ||
| 111 | F | 77.3 | Confident | 84.3 | Confident | 131 Ų | 131 | 36.6 Ų | 36.6 | 58% | 0.575 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -66.1 | 160 | -173.9 | -66.9 | -67.3 | 0 | 0 | 0 | 114.7 | E84 V85 G113 V143 | E84-F111 HydrophobicContact CB-CD2 4.32Å; E84-F111 PolarHBondContact O-N 3.47Å; V85-F111 WeakPolarHBondContact CG1-O 3.22Å; F111-G113 PolarHBondContact O-N 3.08Å; F111-V143 WeakPolarHBondContact O-CG1 3.1Å |
| 112 | P | 77.4 | Confident | 85 | Confident | 61 Ų | 61 | 36.3 Ų | 36.3 | 40% | 0.396 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -67.3 | 131 | 177.5 | -9.4 | 25.1 | 0 | 0 | 0 | 110.8 | E55 V143 P145 | E55-P112 HydrophobicContact CG-CG 4.29Å; E55-P112 WeakPolarHBondContact OE1-CD 3.47Å; P112-V143 CarbonylContact C-O 3.28Å; P112-V143 VanDerWaalsContact CA-O 3.28Å; P112-V143 WeakPolarHBondContact CA-O 3.46Å; P112-P145 HydrophobicContact CB-CB 3.98Å; P112-P145 HydrophobicContact CB-CG 4.27Å; P112-P145 HydrophobicContact CG-CB 3.63Å; P112-P145 HydrophobicContact CG-CG 4.41Å |
| 113 | G | 81.2 | Confident | 85.2 | Confident | 25 Ų | 25 | 35.5 Ų | 35.5 | 26% | 0.258 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | -175.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F111 R142 V143 | F111-G113 PolarHBondContact O-N 3.08Å; G113-R142 CarbonylContact O-C 3.52Å; G113-R142 WeakPolarHBondContact O-CA 3.32Å; G113-V143 PolarHBondContact N-O 3.23Å; G113-V143 PolarHBondContact O-N 3.41Å |
| 114 | R | 87.2 | Confident | 84.7 | Confident | 145 Ų | 145 | 41.2 Ų | 41.2 | 55% | 0.547 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 116.3 | 172.4 | -75.3 | 179.3 | 159.8 | 174.5 | -6.4 | 108.4 | E50 P116 R142 | E50-R114 IonicContact OE1-CZ 2.71Å; E50-R114 VanDerWaalsContact OE1-CZ 3.26Å; E50-R114 IonicContact OE1-NE 3.64Å; E50-R114 PolarHBondContact OE1-NE 3.39Å; E50-R114 IonicContact OE1-NH2 2.64Å; E50-R114 PolarHBondContact OE1-NH2 2.89Å; E50-R114 IonicContact OE2-CZ 2.82Å; E50-R114 IonicContact OE2-NH2 3.08Å; E50-R114 PolarHBondContact OE2-NH2 3.3Å; R114-P116 WeakPolarHBondContact O-CD 3.42Å; R114-R142 HydrophobicContact CG-CB 4.42Å; R114-R142 HydrophobicContact CG-CG 4.23Å |
| 115 | A | 89 | Confident | 84 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 110.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | D82 V85 L86 I141 | D82-A115 HydrophobicContact CB-CB 4.3Å; V85-A115 HydrophobicContact CB-CB 4.07Å; V85-A115 HydrophobicContact CG1-CB 3.75Å; L86-A115 HydrophobicContact CB-CB 3.56Å; L86-A115 HydrophobicContact CD2-CB 4.35Å; A115-I141 PolarHBondContact N-O 3.35Å; A115-I141 PolarHBondContact O-N 2.86Å |
| 116 | P | 91.1 | Very high | 82.5 | Confident | 35 Ų | 35 | 53.6 Ų | 53.6 | 23% | 0.227 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 142 | 170.3 | -14.3 | 29.7 | 0 | 0 | 0 | 110.6 | L81 R114 F140 | L81-P116 HydrophobicContact CB-CB 4.29Å; L81-P116 HydrophobicContact CD1-CB 4.11Å; L81-P116 PolarHBondContact N-O 2.81Å; R114-P116 WeakPolarHBondContact O-CD 3.42Å; P116-F140 HydrophobicContact CB-CD1 3.8Å; P116-F140 HydrophobicContact CB-CE1 3.73Å; P116-F140 HydrophobicContact CG-CD1 3.94Å; P116-F140 HydrophobicContact CG-CE1 3.88Å |
| 117 | L | 89.7 | Confident | 81.2 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 138.4 | 176.5 | -66.6 | -179 | 0 | 0 | 0 | 111 | V78 L86 I119 T137 Y139 I141 | V78-L117 HydrophobicContact CG1-CD2 4.34Å; L86-L117 HydrophobicContact CD2-CD2 3.86Å; L117-I119 HydrophobicContact CB-CD1 4.42Å; L117-I119 HydrophobicContact CB-CG1 4.36Å; L117-I119 HydrophobicContact CD1-CD1 4.46Å; L117-T137 VanDerWaalsContact O-CA 3.31Å; L117-T137 WeakPolarHBondContact O-CA 3.33Å; L117-Y139 PolarHBondContact N-O 3.29Å; L117-I141 HydrophobicContact CD1-CD1 3.67Å; L117-I141 HydrophobicContact CD1-CG1 4.15Å; L117-I141 HydrophobicContact CD2-CD1 4.04Å; L117-I141 HydrophobicContact CG-CD1 4.06Å; L117-I141 HydrophobicContact CG-CG1 4.49Å |
| 118 | Q | 91.7 | Very high | 80 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 114.5 | 165.9 | -179.6 | -178.9 | 48.2 | 0 | 0 | 108.6 | V78 R79 L81 E135 T137 | V78-Q118 CarbonylContact C-O 3.55Å; V78-Q118 WeakPolarHBondContact CA-O 3.4Å; R79-Q118 HydrophobicContact CB-CB 4.39Å; R79-Q118 PolarHBondContact N-O 3.12Å; R79-Q118 PolarHBondContact O-N 3.07Å; L81-Q118 HydrophobicContact CD2-CB 4.32Å; L81-Q118 HydrophobicContact CG-CB 4.42Å; Q118-E135 WeakPolarHBondContact CG-OE1 3.32Å; Q118-E135 PolarHBondContact NE2-OE1 2.74Å; Q118-T137 HydrophobicContact CB-CG2 4.4Å; Q118-T137 HydrophobicContact CG-CG2 4.23Å |
| 119 | I | 90 | Very high | 79.2 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 121.4 | -178.1 | -60.3 | 159.7 | 0 | 0 | 0 | 108.6 | I41 I43 I63 V76 V78 L117 E135 R136 Y139 | I41-I119 HydrophobicContact CD1-CG2 3.96Å; I41-I119 HydrophobicContact CG2-CG2 3.96Å; I43-I119 HydrophobicContact CD1-CD1 4Å; I63-I119 HydrophobicContact CD1-CB 4.48Å; I63-I119 HydrophobicContact CD1-CD1 3.7Å; I63-I119 HydrophobicContact CD1-CG1 3.96Å; I63-I119 HydrophobicContact CD1-CG2 3.67Å; V76-I119 HydrophobicContact CG1-CG2 3.94Å; V78-I119 HydrophobicContact CG1-CG1 4.03Å; V78-I119 HydrophobicContact CG2-CG1 4.15Å; V78-I119 HydrophobicContact CG2-CG2 4.25Å; L117-I119 HydrophobicContact CB-CD1 4.42Å; L117-I119 HydrophobicContact CB-CG1 4.36Å; L117-I119 HydrophobicContact CD1-CD1 4.46Å; I119-E135 CarbonylContact O-C 3.6Å; I119-E135 VanDerWaalsContact O-CA 3.31Å; I119-E135 WeakPolarHBondContact O-CA 3.21Å; I119-R136 PolarHBondContact N-O 3.48Å; I119-R136 PolarHBondContact O-N 3.07Å; I119-Y139 HydrophobicContact CD1-CD2 3.67Å; I119-Y139 HydrophobicContact CD1-CE2 4.36Å; I119-Y139 HydrophobicContact CD1-CG 4.16Å |
| 120 | Q | 89.9 | Confident | 78.8 | Confident | 28 Ų | 28 | 66 Ų | 66 | 13% | 0.131 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 121.8 | 179.5 | -68.7 | 179.2 | -19.9 | 0 | 0 | 109.7 | V76 R77 L122 L132 E134 E135 | V76-Q120 WeakPolarHBondContact CA-O 3.46Å; R77-Q120 HydrophobicContact CB-CB 4.32Å; R77-Q120 PolarHBondContact N-O 3.47Å; R77-Q120 PolarHBondContact O-N 3.38Å; Q120-L122 HydrophobicContact CB-CD1 4.17Å; Q120-L132 HydrophobicContact CB-CD1 3.63Å; Q120-L132 HydrophobicContact CG-CD1 3.84Å; Q120-E134 CarbonylContact C-O 3.6Å; Q120-E134 WeakPolarHBondContact CA-O 3.17Å; Q120-E135 HydrophobicContact CG-CB 4.3Å; Q120-E135 HydrophobicContact CG-CG 4.02Å; Q120-E135 PolarHBondContact NE2-OE1 3.45Å |
| 121 | L | 86.8 | Confident | 78.8 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 123.4 | 169 | 177.5 | 67.6 | 0 | 0 | 0 | 109 | I41 Y67 V76 I133 E134 | I41-L121 HydrophobicContact CD1-CB 3.46Å; I41-L121 VanDerWaalsContact CD1-CB 3.46Å; I41-L121 HydrophobicContact CG1-CB 3.87Å; I41-L121 HydrophobicContact CG1-CD2 4.17Å; Y67-L121 HydrophobicContact CG-CD2 4.24Å; V76-L121 HydrophobicContact CG2-CD1 3.72Å; L121-I133 HydrophobicContact CD2-CB 4.28Å; L121-I133 HydrophobicContact CD2-CG2 4.16Å; L121-I133 HydrophobicContact CG-CB 4.27Å; L121-I133 PolarHBondContact O-N 3.01Å; L121-E134 HydrophobicContact CB-CB 4.49Å; L121-E134 PolarHBondContact N-O 2.67Å; L121-E134 PolarHBondContact O-N 2.93Å |
| 122 | L | 85.5 | Confident | 79.2 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 136.3 | 178.2 | -53 | 101.7 | 0 | 0 | 0 | 110.3 | T75 R77 Q120 P130 V131 | T75-L122 PolarHBondContact N-O 2.95Å; T75-L122 PolarHBondContact O-N 2.9Å; T75-L122 VanDerWaalsContact O-O 3.11Å; R77-L122 HydrophobicContact CB-CD1 3.86Å; Q120-L122 HydrophobicContact CB-CD1 4.17Å; L122-P130 HydrophobicContact CB-CB 4.11Å; L122-P130 HydrophobicContact CD2-CB 3.93Å; L122-P130 HydrophobicContact CD2-CG 4.38Å; L122-V131 VanDerWaalsContact CA-O 3.3Å; L122-V131 WeakPolarHBondContact CA-O 3.45Å |
| 123 | D | 82.4 | Confident | 79.5 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 9% | 0.086 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 137.5 | 169.6 | -161 | 4.7 | 0 | 0 | 0 | 109.8 | Y67 S71 V131 I133 | Y67-D123 HydrophobicContact CE1-CB 4.23Å; S71-D123 WeakPolarHBondContact CB-OD1 3.49Å; D123-V131 PolarHBondContact N-O 2.8Å; D123-V131 PolarHBondContact O-N 3.4Å; D123-I133 HydrophobicContact CB-CD1 3.93Å; D123-I133 HydrophobicContact CB-CG1 3.8Å |
| 124 | R | 72.6 | Confident | 79.8 | Confident | 131 Ų | 131 | 66.2 Ų | 66.2 | 49% | 0.494 | 33% | 0.327 | S | S | . | . | trans | -119.4 | 104.8 | -178.5 | -167.4 | 175.6 | -178.3 | -178.1 | -2.4 | 109 | S71 N73 | S71-R124 WeakPolarHBondContact CB-O 3.22Å; S71-R124 PolarHBondContact OG-O 3.04Å; N73-R124 PolarHBondContact O-N 2.96Å | ||
| 125 | D | 64.8 | Low | 79.9 | Confident | 94 Ų | 94 | 63.4 Ų | 63.4 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | trans | -78.4 | 155.1 | 171 | -155.4 | 0.6 | 0 | 0 | 0 | 110.4 | D127 T128 | D125-D127 PolarHBondContact O-N 2.98Å; D125-T128 PolarHBondContact O-N 3.48Å; D125-T128 VanDerWaalsContact O-N 3.17Å; D125-T128 PolarHBondContact O-OG1 3.16Å | ||
| 126 | R | 53.8 | Low | 79.8 | Confident | 230 Ų | 230 | 64.6 Ų | 64.6 | 87% | 0.868 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 112.4 | -174.6 | -77.6 | -179 | 171.3 | -176.6 | -3.3 | 110.1 | ||
| 127 | D | 56.2 | Low | 79.5 | Confident | 166 Ų | 166 | 66.5 Ų | 66.5 | 89% | 0.888 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 16.8 | 176.8 | -58.4 | -36.1 | 0 | 0 | 0 | 119 | D125 | D125-D127 PolarHBondContact O-N 2.98Š|
| 128 | T | 62.5 | Low | 79.1 | Confident | 74 Ų | 74 | 69.1 Ų | 69.1 | 45% | 0.454 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -109.6 | 161.3 | 173.8 | 56.2 | 0 | 0 | 0 | 0 | 114 | D125 | D125-T128 PolarHBondContact O-N 3.48Å; D125-T128 VanDerWaalsContact O-N 3.17Å; D125-T128 PolarHBondContact O-OG1 3.16Å |
| 129 | V | 69.6 | Low | 78.8 | Confident | 124 Ų | 124 | 67.1 Ų | 67.1 | 75% | 0.752 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 135 | 172.8 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | V131 | V129-V131 PolarHBondContact O-N 3.43Š|
| 130 | P | 75.4 | Confident | 78.7 | Confident | 51 Ų | 51 | 70.6 Ų | 70.6 | 33% | 0.331 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 126.8 | -179.2 | 21.6 | -32.6 | 0 | 0 | 0 | 111.2 | L122 | L122-P130 HydrophobicContact CB-CB 4.11Å; L122-P130 HydrophobicContact CD2-CB 3.93Å; L122-P130 HydrophobicContact CD2-CG 4.38Å |
| 131 | V | 80.4 | Confident | 78.4 | Confident | 86 Ų | 86 | 69.2 Ų | 69.2 | 52% | 0.521 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 128.6 | -179.9 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | L122 D123 V129 I133 | L122-V131 VanDerWaalsContact CA-O 3.3Å; L122-V131 WeakPolarHBondContact CA-O 3.45Å; D123-V131 PolarHBondContact N-O 2.8Å; D123-V131 PolarHBondContact O-N 3.4Å; V129-V131 PolarHBondContact O-N 3.43Å; V131-I133 PolarHBondContact O-N 2.86Å |
| 132 | L | 85.2 | Confident | 78.4 | Confident | 81 Ų | 81 | 74.1 Ų | 74.1 | 42% | 0.424 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 118.5 | 173.9 | -179 | 68.6 | 0 | 0 | 0 | 109.2 | Q120 E135 | Q120-L132 HydrophobicContact CB-CD1 3.63Å; Q120-L132 HydrophobicContact CG-CD1 3.84Å; L132-E135 HydrophobicContact CD1-CB 4.5Å; L132-E135 HydrophobicContact CD2-CB 4.34Å |
| 133 | I | 85.1 | Confident | 78.2 | Confident | 46 Ų | 46 | 73.8 Ų | 73.8 | 24% | 0.236 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -44.4 | 179 | -58.8 | -56.1 | 0 | 0 | 0 | 110.5 | Y40 Y67 L121 D123 V131 | Y40-I133 HydrophobicContact CD2-CG2 4.21Å; Y40-I133 HydrophobicContact CE2-CG2 4.43Å; Y67-I133 HydrophobicContact CD1-CG1 4.49Å; Y67-I133 HydrophobicContact CD1-CG2 4.29Å; Y67-I133 HydrophobicContact CD2-CG2 3.69Å; Y67-I133 HydrophobicContact CE1-CD1 4.13Å; Y67-I133 HydrophobicContact CE1-CG1 4.03Å; Y67-I133 HydrophobicContact CE1-CG2 4.22Å; Y67-I133 HydrophobicContact CE2-CG2 3.62Å; Y67-I133 HydrophobicContact CG-CG2 4.04Å; L121-I133 HydrophobicContact CD2-CB 4.28Å; L121-I133 HydrophobicContact CD2-CG2 4.16Å; L121-I133 HydrophobicContact CG-CB 4.27Å; L121-I133 PolarHBondContact O-N 3.01Å; D123-I133 HydrophobicContact CB-CD1 3.93Å; D123-I133 HydrophobicContact CB-CG1 3.8Å; V131-I133 PolarHBondContact O-N 2.86Å |
| 134 | E | 86.8 | Confident | 77.9 | Confident | 28 Ų | 28 | 75.2 Ų | 75.2 | 13% | 0.131 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 143.9 | -176.9 | -176 | 179 | 177.6 | 0 | 0 | 110.4 | G39 Y40 I41 Q120 L121 R136 | G39-E134 WeakPolarHBondContact CA-OE1 3.16Å; Y40-E134 VanDerWaalsContact CA-OE2 3.23Å; Y40-E134 WeakPolarHBondContact CA-OE2 3.48Å; Y40-E134 WeakPolarHBondContact CB-OE2 3.4Å; Y40-E134 WeakPolarHBondContact CD2-OE2 3.36Å; Y40-E134 PolarHBondContact N-OE1 2.94Å; Y40-E134 PolarHBondContact N-OE2 2.97Å; I41-E134 HydrophobicContact CD1-CB 4.17Å; I41-E134 HydrophobicContact CD1-CG 4.19Å; I41-E134 PolarHBondContact N-OE2 3.32Å; I41-E134 VanDerWaalsContact N-OE2 3.17Å; Q120-E134 CarbonylContact C-O 3.6Å; Q120-E134 WeakPolarHBondContact CA-O 3.17Å; L121-E134 HydrophobicContact CB-CB 4.49Å; L121-E134 PolarHBondContact N-O 2.67Å; L121-E134 PolarHBondContact O-N 2.93Å; E134-R136 HydrophobicContact CG-CG 4.16Å; E134-R136 WeakPolarHBondContact OE1-CD 3.28Å |
| 135 | E | 89.3 | Confident | 77.7 | Confident | 86 Ų | 86 | 72.9 Ų | 72.9 | 40% | 0.402 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 131 | 172.4 | 178.3 | 164.9 | -141.9 | 0 | 0 | 109.7 | Q118 I119 Q120 L132 T137 | Q118-E135 WeakPolarHBondContact CG-OE1 3.32Å; Q118-E135 PolarHBondContact NE2-OE1 2.74Å; I119-E135 CarbonylContact O-C 3.6Å; I119-E135 VanDerWaalsContact O-CA 3.31Å; I119-E135 WeakPolarHBondContact O-CA 3.21Å; Q120-E135 HydrophobicContact CG-CB 4.3Å; Q120-E135 HydrophobicContact CG-CG 4.02Å; Q120-E135 PolarHBondContact NE2-OE1 3.45Å; L132-E135 HydrophobicContact CD1-CB 4.5Å; L132-E135 HydrophobicContact CD2-CB 4.34Å; E135-T137 HydrophobicContact CG-CG2 4.43Å |
| 136 | R | 85.9 | Confident | 77.2 | Confident | 24 Ų | 24 | 71.1 Ų | 71.1 | 9% | 0.091 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 131.7 | 178.7 | -66.1 | -163.4 | 76.6 | 175.6 | 2.5 | 110.1 | I41 I119 E134 E138 Y139 | I41-R136 PolarHBondContact O-NH1 3.47Å; I119-R136 PolarHBondContact N-O 3.48Å; I119-R136 PolarHBondContact O-N 3.07Å; E134-R136 HydrophobicContact CG-CG 4.16Å; E134-R136 WeakPolarHBondContact OE1-CD 3.28Å; R136-E138 WeakPolarHBondContact CA-OE2 3.29Å; R136-E138 WeakPolarHBondContact CB-OE2 3.11Å; R136-E138 IonicContact CZ-OE1 3.96Å; R136-E138 VanDerWaalsContact NE-CD 3.27Å; R136-E138 IonicContact NE-OE1 3.12Å; R136-E138 PolarHBondContact NE-OE1 3.12Å; R136-E138 IonicContact NE-OE2 3.52Å; R136-E138 IonicContact NH2-OE1 2.59Å; R136-E138 PolarHBondContact NH2-OE1 3.49Å; R136-Y139 HydrophobicContact CB-CD2 4.22Å; R136-Y139 HydrophobicContact CB-CE2 4.2Å; R136-Y139 PolarHBondContact NH1-OH 2.9Å |
| 137 | T | 86.4 | Confident | 77.1 | Confident | 75 Ų | 75 | 64.3 Ų | 64.3 | 46% | 0.46 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 2.6 | -177.9 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | L117 Q118 E135 Y139 | L117-T137 VanDerWaalsContact O-CA 3.31Å; L117-T137 WeakPolarHBondContact O-CA 3.33Å; Q118-T137 HydrophobicContact CB-CG2 4.4Å; Q118-T137 HydrophobicContact CG-CG2 4.23Å; E135-T137 HydrophobicContact CG-CG2 4.43Å; T137-Y139 VanDerWaalsContact C-N 3.26Å; T137-Y139 PolarHBondContact O-N 2.91Å |
| 138 | E | 81.8 | Confident | 76.5 | Confident | 59 Ų | 59 | 58.5 Ų | 58.5 | 28% | 0.276 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -1.6 | -179.6 | 61.3 | -95.5 | -124 | 0 | 0 | 113.7 | R136 F140 | R136-E138 WeakPolarHBondContact CA-OE2 3.29Å; R136-E138 WeakPolarHBondContact CB-OE2 3.11Å; R136-E138 IonicContact CZ-OE1 3.96Å; R136-E138 VanDerWaalsContact NE-CD 3.27Å; R136-E138 IonicContact NE-OE1 3.12Å; R136-E138 PolarHBondContact NE-OE1 3.12Å; R136-E138 IonicContact NE-OE2 3.52Å; R136-E138 IonicContact NH2-OE1 2.59Å; R136-E138 PolarHBondContact NH2-OE1 3.49Å; E138-F140 WeakPolarHBondContact O-CD2 3.42Å; E138-F140 WeakPolarHBondContact O-CE2 3.32Å |
| 139 | Y | 84.4 | Confident | 75.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 134.6 | -179.6 | -70.6 | -71.9 | 0 | 0 | 0 | 111.2 | I43 Q49 F51 L117 I119 R136 T137 | I43-Y139 HydrophobicContact CB-CE1 4.21Å; I43-Y139 HydrophobicContact CD1-CD1 3.76Å; I43-Y139 HydrophobicContact CD1-CD2 4.39Å; I43-Y139 HydrophobicContact CD1-CE1 4.11Å; I43-Y139 HydrophobicContact CD1-CG 3.88Å; I43-Y139 HydrophobicContact CG1-CD1 4.46Å; I43-Y139 HydrophobicContact CG1-CE1 4.32Å; Q49-Y139 HydrophobicContact CG-CE1 4.46Å; Q49-Y139 CarbonylContact O-C 3.57Å; Q49-Y139 WeakPolarHBondContact O-CA 3.13Å; F51-Y139 AromaticContact CE2-CD1 3.89Å; F51-Y139 HydrophobicContact CE2-CD1 3.89Å; F51-Y139 HydrophobicContact CE2-CE1 4.27Å; L117-Y139 PolarHBondContact N-O 3.29Å; I119-Y139 HydrophobicContact CD1-CD2 3.67Å; I119-Y139 HydrophobicContact CD1-CE2 4.36Å; I119-Y139 HydrophobicContact CD1-CG 4.16Å; R136-Y139 HydrophobicContact CB-CD2 4.22Å; R136-Y139 HydrophobicContact CB-CE2 4.2Å; R136-Y139 PolarHBondContact NH1-OH 2.9Å; T137-Y139 VanDerWaalsContact C-N 3.26Å; T137-Y139 PolarHBondContact O-N 2.91Å |
| 140 | F | 87.5 | Confident | 74.4 | Confident | 73 Ų | 73 | 57.2 Ų | 57.2 | 32% | 0.32 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 143 | -179 | -57.1 | -89 | 0 | 0 | 0 | 110.8 | Q49 E50 F51 P116 E138 | Q49-F140 PolarHBondContact O-N 2.97Å; E50-F140 WeakPolarHBondContact CA-O 3.45Å; E50-F140 HydrophobicContact CG-CB 4.44Å; F51-F140 PolarHBondContact N-O 3.49Å; P116-F140 HydrophobicContact CB-CD1 3.8Å; P116-F140 HydrophobicContact CB-CE1 3.73Å; P116-F140 HydrophobicContact CG-CD1 3.94Å; P116-F140 HydrophobicContact CG-CE1 3.88Å; E138-F140 WeakPolarHBondContact O-CD2 3.42Å; E138-F140 WeakPolarHBondContact O-CE2 3.32Å |
| 141 | I | 84.6 | Confident | 72.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 122.4 | 166 | -68.8 | 160.4 | 0 | 0 | 0 | 108.6 | F51 F53 I61 L86 I107 A115 L117 V143 | F51-I141 HydrophobicContact CB-CG1 4.42Å; F51-I141 CarbonylContact O-C 3.56Å; F51-I141 VanDerWaalsContact O-CA 3.31Å; F51-I141 WeakPolarHBondContact O-CA 3.28Å; F53-I141 HydrophobicContact CB-CG2 4.12Å; F53-I141 HydrophobicContact CD2-CG2 3.79Å; F53-I141 HydrophobicContact CG-CG2 4.31Å; I61-I141 HydrophobicContact CD1-CD1 3.32Å; I61-I141 HydrophobicContact CD1-CG1 4.12Å; L86-I141 HydrophobicContact CD1-CD1 4.25Å; L86-I141 HydrophobicContact CD1-CG2 3.88Å; L86-I141 HydrophobicContact CD2-CB 4.09Å; L86-I141 HydrophobicContact CD2-CD1 3.24Å; L86-I141 HydrophobicContact CD2-CG1 4.26Å; L86-I141 HydrophobicContact CD2-CG2 4.36Å; L86-I141 HydrophobicContact CG-CD1 4.36Å; I107-I141 HydrophobicContact CD1-CD1 4.15Å; A115-I141 PolarHBondContact N-O 3.35Å; A115-I141 PolarHBondContact O-N 2.86Å; L117-I141 HydrophobicContact CD1-CD1 3.67Å; L117-I141 HydrophobicContact CD1-CG1 4.15Å; L117-I141 HydrophobicContact CD2-CD1 4.04Å; L117-I141 HydrophobicContact CG-CD1 4.06Å; L117-I141 HydrophobicContact CG-CG1 4.49Å; I141-V143 HydrophobicContact CG2-CG2 4.19Å |
| 142 | R | 85.2 | Confident | 70.8 | Confident | 103 Ų | 103 | 56.4 Ų | 56.4 | 39% | 0.389 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 111.5 | 172.2 | -173.3 | 177.1 | -177.9 | 179.7 | -2.7 | 108.7 | E50 F51 E52 F53 G113 R114 | E50-R142 HydrophobicContact CG-CB 4.43Å; F51-R142 PolarHBondContact O-N 2.9Å; E52-R142 WeakPolarHBondContact CA-O 3.46Å; F53-R142 PolarHBondContact N-O 3.24Å; G113-R142 CarbonylContact O-C 3.52Å; G113-R142 WeakPolarHBondContact O-CA 3.32Å; R114-R142 HydrophobicContact CG-CB 4.42Å; R114-R142 HydrophobicContact CG-CG 4.23Å |
| 143 | V | 81.7 | Confident | 68.9 | Low | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 115.4 | 171.2 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | F53 E55 V85 L86 F111 P112 G113 I141 | F53-V143 CarbonylContact O-C 3.57Å; F53-V143 VanDerWaalsContact O-CA 3.24Å; F53-V143 WeakPolarHBondContact O-CA 3.36Å; E55-V143 HydrophobicContact CB-CG1 3.95Å; E55-V143 HydrophobicContact CG-CG1 4.24Å; V85-V143 HydrophobicContact CG1-CB 3.9Å; V85-V143 HydrophobicContact CG1-CG2 3.72Å; V85-V143 WeakPolarHBondContact O-CG2 3.49Å; L86-V143 HydrophobicContact CD1-CG2 4.25Å; F111-V143 WeakPolarHBondContact O-CG1 3.1Å; P112-V143 CarbonylContact C-O 3.28Å; P112-V143 VanDerWaalsContact CA-O 3.28Å; P112-V143 WeakPolarHBondContact CA-O 3.46Å; G113-V143 PolarHBondContact N-O 3.23Å; G113-V143 PolarHBondContact O-N 3.41Å; I141-V143 HydrophobicContact CG2-CG2 4.19Å |
| 144 | E | 76.1 | Confident | 67 | Low | 46 Ų | 46 | 56.4 Ų | 56.4 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 142 | 174.9 | -72.1 | -168.7 | 137.8 | 0 | 0 | 110.5 | F53 P54 E55 S146 R414 | F53-E144 PolarHBondContact O-N 3.3Å; P54-E144 CarbonylContact C-O 3.54Å; E55-E144 VanDerWaalsContact CB-O 3.28Å; E55-E144 WeakPolarHBondContact CB-O 3.5Å; E55-E144 PolarHBondContact N-O 2.82Å; E144-S146 PolarHBondContact O-N 2.98Å; E144-R414 IonicContact OE1-NH2 2.77Å; E144-R414 IonicContact OE2-CZ 3.53Å; E144-R414 IonicContact OE2-NH1 3.59Å; E144-R414 IonicContact OE2-NH2 2.94Å; E144-R414 PolarHBondContact OE2-NH2 3.07Å |
| 145 | P | 69.9 | Low | 64.8 | Low | 81 Ų | 81 | 60.8 Ų | 60.8 | 53% | 0.526 | 34% | 0.336 | S | S | . | . | trans | -54.8 | 132.9 | -177.5 | 18 | -24.5 | 0 | 0 | 0 | 111.8 | E55 P112 E147 | E55-P145 VanDerWaalsContact OE2-CA 3.31Å; E55-P145 WeakPolarHBondContact OE2-CA 3.34Å; P112-P145 HydrophobicContact CB-CB 3.98Å; P112-P145 HydrophobicContact CB-CG 4.27Å; P112-P145 HydrophobicContact CG-CB 3.63Å; P112-P145 HydrophobicContact CG-CG 4.41Å; P145-E147 PolarHBondContact O-N 2.88Å | ||
| 146 | S | 54.5 | Low | 62.4 | Low | 57 Ų | 57 | 62.6 Ų | 62.6 | 40% | 0.399 | 35% | 0.345 | S | S | . | . | trans | -58.9 | 114.3 | 170.7 | 160.8 | 0 | 0 | 0 | 0 | 102.9 | E55 E144 G148 | E55-S146 PolarHBondContact OE2-N 2.72Å; E144-S146 PolarHBondContact O-N 2.98Å; S146-G148 WeakPolarHBondContact O-CA 3.41Å; S146-G148 PolarHBondContact O-N 3.13Å | ||
| 147 | E | 51.3 | Low | 60.4 | Low | 87 Ų | 87 | 61.8 Ų | 61.8 | 41% | 0.407 | 34% | 0.343 | S | S | . | . | trans | -55.9 | 81.9 | -172.1 | -65.3 | 178.7 | 119.3 | 0 | 0 | 110.9 | P145 D149 R153 | P145-E147 PolarHBondContact O-N 2.88Å; E147-D149 PolarHBondContact O-N 3.5Å; E147-R153 VanDerWaalsContact CD-NH2 3.26Å; E147-R153 PolarHBondContact O-NH2 3.12Å; E147-R153 IonicContact OE1-CZ 3.09Å; E147-R153 IonicContact OE1-NH1 3.98Å; E147-R153 PolarHBondContact OE1-NH1 2.84Å; E147-R153 VanDerWaalsContact OE1-NH1 3.12Å; E147-R153 IonicContact OE1-NH2 3.98Å; E147-R153 IonicContact OE2-CZ 3.63Å; E147-R153 IonicContact OE2-NE 2.7Å; E147-R153 IonicContact OE2-NH1 3.31Å; E147-R153 PolarHBondContact OE2-NH1 2.9Å; E147-R153 IonicContact OE2-NH2 2.67Å; E147-R153 PolarHBondContact OE2-NH2 3.4Å | ||
| 148 | G | 43.6 | Very low | 58.3 | Low | 44 Ų | 44 | 59.6 Ų | 59.6 | 45% | 0.454 | 34% | 0.335 | S | S | . | . | trans | -67.7 | 124.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | S146 T152 | S146-G148 WeakPolarHBondContact O-CA 3.41Å; S146-G148 PolarHBondContact O-N 3.13Å; G148-T152 WeakPolarHBondContact O-CB 3.32Å; G148-T152 PolarHBondContact O-OG1 2.87Å | ||
| 149 | D | 42.7 | Very low | 56.4 | Low | 123 Ų | 123 | 57.4 Ų | 57.4 | 66% | 0.658 | 33% | 0.329 | S | S | * | . | trans | 46.9 | 126.8 | 179.2 | -74.5 | -23.9 | 0 | 0 | 0 | 115.9 | E147 A151 T152 R153 | E147-D149 PolarHBondContact O-N 3.5Å; D149-A151 HydrophobicContact CB-CB 4.13Å; D149-A151 PolarHBondContact O-N 3.45Å; D149-T152 PolarHBondContact O-N 2.98Å; D149-R153 PolarHBondContact O-N 3.43Å; D149-R153 VanDerWaalsContact O-N 3.15Å | ||
| 150 | A | 43.9 | Very low | 54.3 | Low | 48 Ų | 48 | 59 Ų | 59 | 40% | 0.397 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -46.6 | -27.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L154 L411 | A150-L154 VanDerWaalsContact O-CG 3.23Å; A150-L154 WeakPolarHBondContact O-CG 3.4Å; A150-L154 PolarHBondContact O-N 3.38Å; A150-L154 VanDerWaalsContact O-N 3.11Å; A150-L411 HydrophobicContact CB-CD2 4.25Å |
| 151 | A | 39 | Very low | 52 | Low | 58 Ų | 58 | 57 Ų | 57 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D149 L154 L155 | D149-A151 HydrophobicContact CB-CB 4.13Å; D149-A151 PolarHBondContact O-N 3.45Å; A151-L154 WeakPolarHBondContact O-CB 3.45Å; A151-L154 PolarHBondContact O-N 3Å; A151-L155 PolarHBondContact O-N 3.41Å |
| 152 | T | 41.2 | Very low | 50.1 | Low | 62 Ų | 62 | 62.8 Ų | 62.8 | 38% | 0.38 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -74.8 | -34.7 | 177.1 | -26.9 | 0 | 0 | 0 | 0 | 110.8 | G148 D149 L154 L155 Q156 | G148-T152 WeakPolarHBondContact O-CB 3.32Å; G148-T152 PolarHBondContact O-OG1 2.87Å; D149-T152 PolarHBondContact O-N 2.98Å; T152-L154 VanDerWaalsContact C-N 3.26Å; T152-L154 PolarHBondContact O-N 3.43Å; T152-L155 PolarHBondContact O-N 3.29Å; T152-Q156 WeakPolarHBondContact O-CB 3.26Å; T152-Q156 PolarHBondContact O-N 3.45Å |
| 153 | R | 46.1 | Very low | 48.3 | Very low | 71 Ų | 71 | 60 Ų | 60 | 27% | 0.268 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.1 | -32 | 168.6 | -61.4 | -170.7 | -147.6 | -160.5 | -0.2 | 112.6 | E147 D149 S157 | E147-R153 VanDerWaalsContact CD-NH2 3.26Å; E147-R153 PolarHBondContact O-NH2 3.12Å; E147-R153 IonicContact OE1-CZ 3.09Å; E147-R153 IonicContact OE1-NH1 3.98Å; E147-R153 PolarHBondContact OE1-NH1 2.84Å; E147-R153 VanDerWaalsContact OE1-NH1 3.12Å; E147-R153 IonicContact OE1-NH2 3.98Å; E147-R153 IonicContact OE2-CZ 3.63Å; E147-R153 IonicContact OE2-NE 2.7Å; E147-R153 IonicContact OE2-NH1 3.31Å; E147-R153 PolarHBondContact OE2-NH1 2.9Å; E147-R153 IonicContact OE2-NH2 2.67Å; E147-R153 PolarHBondContact OE2-NH2 3.4Å; D149-R153 PolarHBondContact O-N 3.43Å; D149-R153 VanDerWaalsContact O-N 3.15Å; R153-S157 WeakPolarHBondContact O-CA 3.45Å; R153-S157 WeakPolarHBondContact O-CB 3.42Å; R153-S157 PolarHBondContact O-N 2.85Å; R153-S157 PolarHBondContact O-OG 3.3Å |
| 154 | L | 44.6 | Very low | 46.8 | Very low | 56 Ų | 56 | 63.1 Ų | 63.1 | 29% | 0.293 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.7 | -36.2 | 174.5 | -70.3 | 168.5 | 0 | 0 | 0 | 113 | A150 A151 T152 L411 | A150-L154 VanDerWaalsContact O-CG 3.23Å; A150-L154 WeakPolarHBondContact O-CG 3.4Å; A150-L154 PolarHBondContact O-N 3.38Å; A150-L154 VanDerWaalsContact O-N 3.11Å; A151-L154 WeakPolarHBondContact O-CB 3.45Å; A151-L154 PolarHBondContact O-N 3Å; T152-L154 VanDerWaalsContact C-N 3.26Å; T152-L154 PolarHBondContact O-N 3.43Å; L154-L411 HydrophobicContact CD2-CD1 4.32Å; L154-L411 HydrophobicContact CD2-CD2 3.7Å; L154-L411 HydrophobicContact CD2-CG 4.13Å; L154-L411 HydrophobicContact CG-CD2 3.95Å |
| 155 | L | 42.3 | Very low | 45.7 | Very low | 121 Ų | 121 | 68.5 Ų | 68.5 | 63% | 0.634 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -80.7 | -31.3 | 179.2 | -69.1 | 168.5 | 0 | 0 | 0 | 111.8 | A151 T152 | A151-L155 PolarHBondContact O-N 3.41Å; T152-L155 PolarHBondContact O-N 3.29Å |
| 156 | Q | 37.8 | Very low | 45.4 | Very low | 123 Ų | 123 | 65.9 Ų | 65.9 | 58% | 0.575 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -99.8 | -13.3 | -178.9 | -93.5 | 175.3 | -11.1 | 0 | 0 | 115 | T152 G158 R415 | T152-Q156 WeakPolarHBondContact O-CB 3.26Å; T152-Q156 PolarHBondContact O-N 3.45Å; Q156-G158 PolarHBondContact O-N 2.94Å; Q156-R415 PolarHBondContact O-NE 2.94Å; Q156-R415 PolarHBondContact O-NH2 2.92Å |
| 157 | S | 43.3 | Very low | 46.3 | Very low | 7 Ų | 7 | 67.9 Ų | 67.9 | 5% | 0.049 | 39% | 0.387 | C | S | . | . | trans | -62.8 | 109.6 | 172 | 54.8 | 0 | 0 | 0 | 0 | 108 | R153 G159 L160 S161 | R153-S157 WeakPolarHBondContact O-CA 3.45Å; R153-S157 WeakPolarHBondContact O-CB 3.42Å; R153-S157 PolarHBondContact O-N 2.85Å; R153-S157 PolarHBondContact O-OG 3.3Å; S157-G159 PolarHBondContact O-N 2.82Å; S157-L160 PolarHBondContact O-N 2.73Å; S157-S161 PolarHBondContact O-N 2.97Å; S157-S161 VanDerWaalsContact O-N 3.07Å | ||
| 158 | G | 42 | Very low | 47.4 | Very low | 30 Ų | 30 | 66 Ų | 66 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -56.8 | -18.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q156 S161 | Q156-G158 PolarHBondContact O-N 2.94Å; G158-S161 WeakPolarHBondContact CA-OG 3.33Å; G158-S161 PolarHBondContact O-OG 3.22Å |
| 159 | G | 42.2 | Very low | 48.7 | Very low | 13 Ų | 13 | 65.9 Ų | 65.9 | 13% | 0.134 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -77.2 | -23.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S157 M349 | S157-G159 PolarHBondContact O-N 2.82Å; G159-M349 WeakPolarHBondContact O-CE 3.33Å |
| 160 | L | 40.8 | Very low | 50.3 | Low | 33 Ų | 33 | 66.2 Ų | 66.2 | 17% | 0.173 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -106.3 | -21.9 | 179.1 | -97 | 143.6 | 0 | 0 | 0 | 113.8 | S157 H162 F163 T164 Q410 | S157-L160 PolarHBondContact O-N 2.73Å; L160-H162 PolarHBondContact O-N 3.46Å; L160-F163 HydrophobicContact CD2-CB 3.97Å; L160-F163 HydrophobicContact CD2-CD2 4.2Å; L160-F163 HydrophobicContact CD2-CG 4.15Å; L160-F163 HydrophobicContact CG-CD2 4.36Å; L160-F163 WeakPolarHBondContact O-CA 3.37Å; L160-F163 WeakPolarHBondContact O-CB 3.39Å; L160-F163 PolarHBondContact O-N 3.43Å; L160-T164 PolarHBondContact O-N 3.19Å; L160-T164 PolarHBondContact O-OG1 3.06Å; L160-Q410 HydrophobicContact CD1-CB 4.37Å |
| 161 | S | 39.9 | Very low | 52 | Low | 32 Ų | 32 | 67 Ų | 67 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.3 | -36.8 | 167.5 | 59 | 0 | 0 | 0 | 0 | 110.9 | S157 G158 F163 T164 E165 | S157-S161 PolarHBondContact O-N 2.97Å; S157-S161 VanDerWaalsContact O-N 3.07Å; G158-S161 WeakPolarHBondContact CA-OG 3.33Å; G158-S161 PolarHBondContact O-OG 3.22Å; S161-F163 VanDerWaalsContact C-N 3.28Å; S161-F163 PolarHBondContact O-N 3.12Å; S161-T164 PolarHBondContact O-N 3.36Å; S161-E165 PolarHBondContact O-N 3.35Å |
| 162 | H | 44.8 | Very low | 54.1 | Low | 120 Ų | 120 | 65.3 Ų | 65.3 | 56% | 0.556 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.4 | -22.1 | 167.6 | -94.4 | -71 | 0 | 0 | 0 | 114.3 | L160 N166 M349 | L160-H162 PolarHBondContact O-N 3.46Å; H162-N166 WeakPolarHBondContact O-CB 3.46Å; H162-M349 HydrophobicContact CB-CE 3.7Å |
| 163 | F | 46.8 | Very low | 56.1 | Low | 46 Ų | 46 | 66.8 Ų | 66.8 | 20% | 0.202 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -71.9 | -50.7 | 173.6 | -112.3 | -87.2 | 0 | 0 | 0 | 107.9 | L160 S161 E165 N166 L169 M349 L403 | L160-F163 HydrophobicContact CD2-CB 3.97Å; L160-F163 HydrophobicContact CD2-CD2 4.2Å; L160-F163 HydrophobicContact CD2-CG 4.15Å; L160-F163 HydrophobicContact CG-CD2 4.36Å; L160-F163 WeakPolarHBondContact O-CA 3.37Å; L160-F163 WeakPolarHBondContact O-CB 3.39Å; L160-F163 PolarHBondContact O-N 3.43Å; S161-F163 VanDerWaalsContact C-N 3.28Å; S161-F163 PolarHBondContact O-N 3.12Å; F163-E165 PolarHBondContact O-N 2.74Å; F163-N166 PolarHBondContact O-N 3.34Å; F163-L169 HydrophobicContact CB-CD2 4.28Å; F163-L169 HydrophobicContact CD1-CD1 3.55Å; F163-L169 HydrophobicContact CD1-CD2 3.61Å; F163-L169 HydrophobicContact CD1-CG 4.17Å; F163-L169 HydrophobicContact CE1-CD1 3.59Å; F163-L169 HydrophobicContact CE1-CD2 4.48Å; F163-L169 HydrophobicContact CG-CD2 4.43Å; F163-L169 WeakPolarHBondContact O-CD2 3.49Å; F163-M349 VanDerWaalsContact CA-CE 3.49Å; F163-M349 HydrophobicContact CB-CE 3.85Å; F163-M349 HydrophobicContact CD2-CE 3.16Å; F163-M349 HydrophobicContact CD2-SD 3.38Å; F163-M349 WeakPolarHBondContact CD2-SD 3.49Å; F163-M349 HydrophobicContact CE1-SD 4.5Å; F163-M349 HydrophobicContact CE2-CE 3.76Å; F163-M349 HydrophobicContact CE2-SD 3.27Å; F163-M349 WeakPolarHBondContact CE2-SD 3.42Å; F163-M349 HydrophobicContact CG-CE 3.62Å; F163-M349 HydrophobicContact CG-SD 4Å; F163-M349 HydrophobicContact CZ-SD 3.87Å; F163-L403 HydrophobicContact CZ-CD2 4.23Å |
| 164 | T | 48.9 | Very low | 58.1 | Low | 68 Ų | 68 | 66.8 Ų | 66.8 | 42% | 0.417 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -75.1 | -23.8 | -172.2 | -49.6 | 0 | 0 | 0 | 0 | 113.8 | L160 S161 F170 | L160-T164 PolarHBondContact O-N 3.19Å; L160-T164 PolarHBondContact O-OG1 3.06Å; S161-T164 PolarHBondContact O-N 3.36Å; T164-F170 HydrophobicContact CG2-CZ 4.33Å; T164-F170 WeakPolarHBondContact O-CE2 3.34Å; T164-F170 VanDerWaalsContact O-CZ 3.3Å; T164-F170 WeakPolarHBondContact O-CZ 3.31Å |
| 165 | E | 54.4 | Low | 60.2 | Low | 159 Ų | 159 | 65.7 Ų | 65.7 | 74% | 0.743 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -6.4 | 176.1 | -68.7 | -175.7 | 175 | 0 | 0 | 113.8 | S161 F163 P167 | S161-E165 PolarHBondContact O-N 3.35Å; F163-E165 PolarHBondContact O-N 2.74Å; E165-P167 WeakPolarHBondContact O-CD 3.4Å |
| 166 | N | 64.2 | Low | 62.3 | Low | 26 Ų | 26 | 62.3 Ų | 62.3 | 14% | 0.139 | 35% | 0.346 | C | S | . | . | trans | -85.9 | 114.6 | -174.9 | -154.9 | -45.6 | 0 | 0 | 0 | 111.3 | H162 F163 V168 L169 M345 | H162-N166 WeakPolarHBondContact O-CB 3.46Å; F163-N166 PolarHBondContact O-N 3.34Å; N166-V168 PolarHBondContact O-N 3.22Å; N166-V168 WeakPolarHBondContact OD1-CB 3.27Å; N166-V168 WeakPolarHBondContact OD1-CG2 3.36Å; N166-V168 PolarHBondContact OD1-N 2.81Å; N166-L169 WeakPolarHBondContact O-CB 3.48Å; N166-L169 PolarHBondContact O-N 3.32Å; N166-M345 HydrophobicContact CB-CE 3.85Å; N166-M345 HydrophobicContact CB-SD 4.39Å | ||
| 167 | P | 72.4 | Confident | 64.8 | Low | 99 Ų | 99 | 59.9 Ų | 59.9 | 64% | 0.643 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.6 | -24.9 | -177.8 | 24.9 | -34.6 | 0 | 0 | 0 | 112.6 | E165 L169 F170 A171 | E165-P167 WeakPolarHBondContact O-CD 3.4Å; P167-L169 VanDerWaalsContact C-N 3.34Å; P167-L169 PolarHBondContact O-N 2.9Å; P167-F170 PolarHBondContact O-N 2.94Å; P167-A171 PolarHBondContact O-N 3.4Å |
| 168 | V | 73.6 | Confident | 67.1 | Low | 47 Ų | 47 | 62.2 Ų | 62.2 | 29% | 0.285 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 176.6 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | N166 A171 L172 F344 M345 | N166-V168 PolarHBondContact O-N 3.22Å; N166-V168 WeakPolarHBondContact OD1-CB 3.27Å; N166-V168 WeakPolarHBondContact OD1-CG2 3.36Å; N166-V168 PolarHBondContact OD1-N 2.81Å; V168-A171 PolarHBondContact O-N 3.49Å; V168-L172 HydrophobicContact CG1-CD1 3.95Å; V168-L172 HydrophobicContact CG1-CG 4.26Å; V168-L172 VanDerWaalsContact O-CG 3.27Å; V168-L172 WeakPolarHBondContact O-CG 3.33Å; V168-L172 PolarHBondContact O-N 3.29Å; V168-F344 HydrophobicContact CG2-CE1 4.45Å; V168-M345 HydrophobicContact CB-SD 3.78Å; V168-M345 HydrophobicContact CG1-CG 4.05Å; V168-M345 HydrophobicContact CG1-SD 3.84Å |
| 169 | L | 70.8 | Confident | 69.4 | Low | 41 Ų | 41 | 61 Ų | 61 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 179.2 | -174.7 | 76.6 | 0 | 0 | 0 | 111.5 | F163 N166 P167 A171 L172 L173 M345 | F163-L169 HydrophobicContact CB-CD2 4.28Å; F163-L169 HydrophobicContact CD1-CD1 3.55Å; F163-L169 HydrophobicContact CD1-CD2 3.61Å; F163-L169 HydrophobicContact CD1-CG 4.17Å; F163-L169 HydrophobicContact CE1-CD1 3.59Å; F163-L169 HydrophobicContact CE1-CD2 4.48Å; F163-L169 HydrophobicContact CG-CD2 4.43Å; F163-L169 WeakPolarHBondContact O-CD2 3.49Å; N166-L169 WeakPolarHBondContact O-CB 3.48Å; N166-L169 PolarHBondContact O-N 3.32Å; P167-L169 VanDerWaalsContact C-N 3.34Å; P167-L169 PolarHBondContact O-N 2.9Å; L169-A171 PolarHBondContact O-N 3.35Å; L169-L172 PolarHBondContact O-N 3.5Å; L169-L172 VanDerWaalsContact O-N 3.13Å; L169-L173 PolarHBondContact O-N 2.99Å; L169-M345 HydrophobicContact CB-CE 4.15Å; L169-M345 HydrophobicContact CD1-CE 4.5Å |
| 170 | F | 77.6 | Confident | 71.7 | Confident | 130 Ų | 130 | 60.7 Ų | 60.7 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63 | -33.4 | 178.2 | -70.2 | -70 | 0 | 0 | 0 | 112.2 | T164 P167 P174 | T164-F170 HydrophobicContact CG2-CZ 4.33Å; T164-F170 WeakPolarHBondContact O-CE2 3.34Å; T164-F170 VanDerWaalsContact O-CZ 3.3Å; T164-F170 WeakPolarHBondContact O-CZ 3.31Å; P167-F170 PolarHBondContact O-N 2.94Å; F170-P174 WeakPolarHBondContact O-CD 3.4Å |
| 171 | A | 79.3 | Confident | 74.2 | Confident | 66 Ų | 66 | 59.4 Ų | 59.4 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.4 | -36 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P167 V168 L169 P174 | P167-A171 PolarHBondContact O-N 3.4Å; V168-A171 PolarHBondContact O-N 3.49Å; L169-A171 PolarHBondContact O-N 3.35Å; A171-P174 WeakPolarHBondContact O-CD 3.21Å; A171-P174 WeakPolarHBondContact O-CG 3.39Å |
| 172 | L | 82.8 | Confident | 76.7 | Confident | 21 Ų | 21 | 57.9 Ų | 57.9 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -74 | -33.5 | -179.9 | -68.4 | 172.2 | 0 | 0 | 0 | 112.7 | V168 L169 L175 I176 L338 M345 | V168-L172 HydrophobicContact CG1-CD1 3.95Å; V168-L172 HydrophobicContact CG1-CG 4.26Å; V168-L172 VanDerWaalsContact O-CG 3.27Å; V168-L172 WeakPolarHBondContact O-CG 3.33Å; V168-L172 PolarHBondContact O-N 3.29Å; L169-L172 PolarHBondContact O-N 3.5Å; L169-L172 VanDerWaalsContact O-N 3.13Å; L172-L175 HydrophobicContact CD2-CD2 4.47Å; L172-L175 CarbonylContact O-C 3.14Å; L172-L175 WeakPolarHBondContact O-CA 3.33Å; L172-L175 VanDerWaalsContact O-CB 3.32Å; L172-L175 WeakPolarHBondContact O-CB 3.3Å; L172-L175 PolarHBondContact O-N 3.49Å; L172-L175 VanDerWaalsContact O-N 3.1Å; L172-I176 VanDerWaalsContact O-CG1 3.3Å; L172-I176 WeakPolarHBondContact O-CG1 3.45Å; L172-I176 PolarHBondContact O-N 3.02Å; L172-L338 HydrophobicContact CB-CD2 4.37Å; L172-L338 HydrophobicContact CD2-CD2 3.92Å; L172-M345 HydrophobicContact CD1-CG 4.14Å |
| 173 | L | 84.1 | Confident | 79 | Confident | 93 Ų | 93 | 52.2 Ų | 52.2 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.5 | -51.5 | -175.8 | -156.1 | 114.1 | 0 | 0 | 0 | 114.8 | L169 L175 I176 F177 F305 | L169-L173 PolarHBondContact O-N 2.99Å; L173-L175 VanDerWaalsContact C-N 3.28Å; L173-L175 PolarHBondContact O-N 3.26Å; L173-I176 PolarHBondContact O-N 3.18Å; L173-F177 PolarHBondContact O-N 3.37Å; L173-F177 VanDerWaalsContact O-N 3.08Å; L173-F305 HydrophobicContact CG-CE2 4.44Å; L173-F305 HydrophobicContact CG-CZ 4.49Å |
| 174 | P | 87.2 | Confident | 81.1 | Confident | 72 Ų | 72 | 50 Ų | 50 | 47% | 0.468 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.3 | -35.4 | 175.4 | 25.5 | -33.6 | 0 | 0 | 0 | 111.6 | F170 A171 I176 F177 V178 | F170-P174 WeakPolarHBondContact O-CD 3.4Å; A171-P174 WeakPolarHBondContact O-CD 3.21Å; A171-P174 WeakPolarHBondContact O-CG 3.39Å; P174-I176 VanDerWaalsContact C-N 3.34Å; P174-I176 PolarHBondContact O-N 2.91Å; P174-F177 WeakPolarHBondContact O-CB 3.37Å; P174-F177 PolarHBondContact O-N 2.64Å; P174-V178 WeakPolarHBondContact O-CG2 3.36Å; P174-V178 PolarHBondContact O-N 2.87Å |
| 175 | L | 88.9 | Confident | 83.2 | Confident | 33 Ų | 33 | 46.9 Ų | 46.9 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63 | -41 | 176.4 | -169.1 | 69.5 | 0 | 0 | 0 | 111.6 | L172 L173 F177 V178 N179 F334 V337 L338 | L172-L175 HydrophobicContact CD2-CD2 4.47Å; L172-L175 CarbonylContact O-C 3.14Å; L172-L175 WeakPolarHBondContact O-CA 3.33Å; L172-L175 VanDerWaalsContact O-CB 3.32Å; L172-L175 WeakPolarHBondContact O-CB 3.3Å; L172-L175 PolarHBondContact O-N 3.49Å; L172-L175 VanDerWaalsContact O-N 3.1Å; L173-L175 VanDerWaalsContact C-N 3.28Å; L173-L175 PolarHBondContact O-N 3.26Å; L175-F177 VanDerWaalsContact C-N 3.34Å; L175-V178 PolarHBondContact O-N 3.48Å; L175-N179 VanDerWaalsContact O-CB 3.24Å; L175-N179 WeakPolarHBondContact O-CB 3.11Å; L175-N179 PolarHBondContact O-N 3.38Å; L175-F334 HydrophobicContact CD1-CB 4.08Å; L175-F334 HydrophobicContact CD1-CD1 3.57Å; L175-F334 HydrophobicContact CD1-CD2 3.5Å; L175-F334 VanDerWaalsContact CD1-CD2 3.5Å; L175-F334 HydrophobicContact CD1-CE1 3.71Å; L175-F334 HydrophobicContact CD1-CE2 3.63Å; L175-F334 HydrophobicContact CD1-CG 3.46Å; L175-F334 VanDerWaalsContact CD1-CG 3.46Å; L175-F334 HydrophobicContact CD1-CZ 3.73Å; L175-F334 HydrophobicContact CG-CB 4.37Å; L175-F334 HydrophobicContact CG-CD2 4.38Å; L175-F334 HydrophobicContact CG-CG 4.25Å; L175-V337 HydrophobicContact CD2-CB 4.05Å; L175-V337 HydrophobicContact CD2-CG1 3.53Å; L175-L338 HydrophobicContact CB-CD2 4.07Å; L175-L338 HydrophobicContact CD2-CD2 3.75Å; L175-L338 HydrophobicContact CD2-CG 3.91Å; L175-L338 HydrophobicContact CG-CD1 4.49Å; L175-L338 HydrophobicContact CG-CD2 3.96Å; L175-L338 HydrophobicContact CG-CG 4.12Å |
| 176 | I | 86.9 | Confident | 84.9 | Confident | 49 Ų | 49 | 43.5 Ų | 43.5 | 25% | 0.251 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 173.5 | -64.8 | 165.9 | 0 | 0 | 0 | 110.1 | L172 L173 P174 N179 K180 F305 L338 | L172-I176 VanDerWaalsContact O-CG1 3.3Å; L172-I176 WeakPolarHBondContact O-CG1 3.45Å; L172-I176 PolarHBondContact O-N 3.02Å; L173-I176 PolarHBondContact O-N 3.18Å; P174-I176 VanDerWaalsContact C-N 3.34Å; P174-I176 PolarHBondContact O-N 2.91Å; I176-N179 PolarHBondContact O-N 3.28Å; I176-K180 HydrophobicContact CG2-CD 3.99Å; I176-K180 HydrophobicContact CG2-CG 4.29Å; I176-K180 WeakPolarHBondContact O-CB 3.41Å; I176-K180 WeakPolarHBondContact O-CG 3.36Å; I176-K180 PolarHBondContact O-N 3.31Å; I176-F305 HydrophobicContact CB-CE1 4.49Å; I176-F305 HydrophobicContact CB-CZ 4.18Å; I176-F305 HydrophobicContact CG2-CE1 3.56Å; I176-F305 HydrophobicContact CG2-CZ 3.69Å; I176-L338 HydrophobicContact CB-CD2 4.42Å; I176-L338 HydrophobicContact CD1-CD2 4.34Å; I176-L338 HydrophobicContact CG1-CD1 4.08Å; I176-L338 HydrophobicContact CG1-CD2 3.38Å; I176-L338 HydrophobicContact CG1-CG 4.34Å |
| 177 | F | 89.1 | Confident | 86.2 | Confident | 73 Ų | 73 | 42.5 Ų | 42.5 | 32% | 0.32 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.3 | -49.6 | 179.6 | -174.3 | -87.6 | 0 | 0 | 0 | 111.5 | L173 P174 L175 N179 K180 C181 I308 P309 L312 | L173-F177 PolarHBondContact O-N 3.37Å; L173-F177 VanDerWaalsContact O-N 3.08Å; P174-F177 WeakPolarHBondContact O-CB 3.37Å; P174-F177 PolarHBondContact O-N 2.64Å; L175-F177 VanDerWaalsContact C-N 3.34Å; F177-N179 VanDerWaalsContact C-N 3.34Å; F177-N179 PolarHBondContact O-N 2.98Å; F177-K180 PolarHBondContact O-N 3.35Å; F177-C181 WeakPolarHBondContact O-CB 3.47Å; F177-C181 PolarHBondContact O-N 2.93Å; F177-I308 HydrophobicContact CE2-CG2 4.28Å; F177-P309 HydrophobicContact CD1-CB 4.49Å; F177-P309 HydrophobicContact CD2-CB 3.83Å; F177-P309 HydrophobicContact CD2-CG 4.07Å; F177-P309 HydrophobicContact CE1-CB 4.4Å; F177-P309 HydrophobicContact CE2-CB 3.73Å; F177-P309 HydrophobicContact CE2-CG 4.12Å; F177-P309 HydrophobicContact CG-CB 4.22Å; F177-P309 HydrophobicContact CZ-CB 4.03Å; F177-L312 HydrophobicContact CE1-CD2 4.2Å; F177-L312 HydrophobicContact CZ-CD2 4.2Å |
| 178 | V | 91.6 | Very high | 86.9 | Confident | 55 Ų | 55 | 42.4 Ų | 42.4 | 33% | 0.333 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 178 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | P174 L175 C181 A182 L327 F334 | P174-V178 WeakPolarHBondContact O-CG2 3.36Å; P174-V178 PolarHBondContact O-N 2.87Å; L175-V178 PolarHBondContact O-N 3.48Å; V178-C181 WeakPolarHBondContact O-CB 3.38Å; V178-C181 PolarHBondContact O-N 2.88Å; V178-A182 WeakPolarHBondContact O-CB 3.37Å; V178-A182 PolarHBondContact O-N 3.1Å; V178-L327 HydrophobicContact CG1-CD2 4Å; V178-F334 HydrophobicContact CB-CD2 4.46Å; V178-F334 HydrophobicContact CB-CE2 4.12Å; V178-F334 HydrophobicContact CG1-CD2 4.25Å; V178-F334 HydrophobicContact CG1-CE2 3.72Å |
| 179 | N | 91.4 | Very high | 87.5 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -45.2 | 177.7 | -168.5 | 44.2 | 0 | 0 | 0 | 111.7 | L175 I176 F177 C181 A182 F183 I331 F334 S335 L338 | L175-N179 VanDerWaalsContact O-CB 3.24Å; L175-N179 WeakPolarHBondContact O-CB 3.11Å; L175-N179 PolarHBondContact O-N 3.38Å; I176-N179 PolarHBondContact O-N 3.28Å; F177-N179 VanDerWaalsContact C-N 3.34Å; F177-N179 PolarHBondContact O-N 2.98Å; N179-C181 VanDerWaalsContact C-N 3.3Å; N179-C181 PolarHBondContact O-N 2.99Å; N179-A182 WeakPolarHBondContact O-CB 3.31Å; N179-A182 PolarHBondContact O-N 2.79Å; N179-A182 VanDerWaalsContact O-N 3.15Å; N179-F183 VanDerWaalsContact O-CD2 3.29Å; N179-F183 WeakPolarHBondContact O-CD2 3.27Å; N179-F183 PolarHBondContact O-N 3.38Å; N179-I331 PolarHBondContact OD1-O 3.31Å; N179-F334 HydrophobicContact CB-CB 4.16Å; N179-S335 PolarHBondContact ND2-OG 3.08Å; N179-S335 PolarHBondContact OD1-OG 3.19Å; N179-L338 HydrophobicContact CB-CD1 3.7Å; N179-L338 WeakPolarHBondContact ND2-CD1 3.2Å |
| 180 | K | 91.1 | Very high | 88.3 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 3% | 0.03 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -39.6 | 174.7 | -76 | 179.9 | -177.3 | -63.5 | 0 | 111.9 | I176 F177 A182 F183 G184 Y247 F305 P309 I310 | I176-K180 HydrophobicContact CG2-CD 3.99Å; I176-K180 HydrophobicContact CG2-CG 4.29Å; I176-K180 WeakPolarHBondContact O-CB 3.41Å; I176-K180 WeakPolarHBondContact O-CG 3.36Å; I176-K180 PolarHBondContact O-N 3.31Å; F177-K180 PolarHBondContact O-N 3.35Å; K180-A182 VanDerWaalsContact C-N 3.35Å; K180-F183 WeakPolarHBondContact O-CB 3.41Å; K180-F183 PolarHBondContact O-N 3.38Å; K180-G184 PolarHBondContact O-N 3.07Å; K180-Y247 WeakPolarHBondContact CG-OH 3.33Å; K180-Y247 PolarHBondContact NZ-OH 3.3Å; K180-F305 HydrophobicContact CD-CE1 4.38Å; K180-F305 WeakPolarHBondContact CD-O 3.36Å; K180-P309 HydrophobicContact CB-CB 3.74Å; K180-P309 HydrophobicContact CB-CG 3.65Å; K180-P309 HydrophobicContact CD-CG 3.89Å; K180-P309 HydrophobicContact CG-CG 4.43Å; K180-I310 HydrophobicContact CB-CG1 4.49Å |
| 181 | C | 92.8 | Very high | 88.6 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 173.5 | -173.2 | 0 | 0 | 0 | 0 | 111.5 | F177 V178 N179 F183 G184 C185 P309 G313 | F177-C181 WeakPolarHBondContact O-CB 3.47Å; F177-C181 PolarHBondContact O-N 2.93Å; V178-C181 WeakPolarHBondContact O-CB 3.38Å; V178-C181 PolarHBondContact O-N 2.88Å; N179-C181 VanDerWaalsContact C-N 3.3Å; N179-C181 PolarHBondContact O-N 2.99Å; C181-F183 VanDerWaalsContact C-N 3.32Å; C181-F183 PolarHBondContact O-N 3.46Å; C181-G184 WeakPolarHBondContact O-CA 3.4Å; C181-G184 PolarHBondContact O-N 3.34Å; C181-C185 PolarHBondContact O-N 3.26Å; C181-P309 VanDerWaalsContact CA-O 3.28Å; C181-P309 WeakPolarHBondContact CA-O 3.27Å; C181-P309 HydrophobicContact CB-CB 4.28Å; C181-G313 WeakPolarHBondContact O-CA 3.3Å |
| 182 | A | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.7 | -37.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | V178 N179 K180 G184 C185 L327 I331 | V178-A182 WeakPolarHBondContact O-CB 3.37Å; V178-A182 PolarHBondContact O-N 3.1Å; N179-A182 WeakPolarHBondContact O-CB 3.31Å; N179-A182 PolarHBondContact O-N 2.79Å; N179-A182 VanDerWaalsContact O-N 3.15Å; K180-A182 VanDerWaalsContact C-N 3.35Å; A182-G184 VanDerWaalsContact C-N 3.35Å; A182-C185 WeakPolarHBondContact O-CB 3.33Å; A182-C185 PolarHBondContact O-N 2.97Å; A182-L327 HydrophobicContact CB-CB 3.92Å; A182-L327 HydrophobicContact CB-CD2 4.27Å; A182-L327 WeakPolarHBondContact CB-O 3.27Å; A182-I331 HydrophobicContact CB-CD1 4.33Å; A182-I331 HydrophobicContact CB-CG1 3.54Å |
| 183 | F | 91.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.4 | -34.9 | 170.1 | -87.5 | -78.6 | 0 | 0 | 0 | 112.9 | N179 K180 C181 C185 K186 Y247 L248 L251 V257 I261 I331 | N179-F183 VanDerWaalsContact O-CD2 3.29Å; N179-F183 WeakPolarHBondContact O-CD2 3.27Å; N179-F183 PolarHBondContact O-N 3.38Å; K180-F183 WeakPolarHBondContact O-CB 3.41Å; K180-F183 PolarHBondContact O-N 3.38Å; C181-F183 VanDerWaalsContact C-N 3.32Å; C181-F183 PolarHBondContact O-N 3.46Å; F183-C185 PolarHBondContact O-N 2.8Å; F183-K186 WeakPolarHBondContact O-CA 3.23Å; F183-K186 WeakPolarHBondContact O-CB 3.44Å; F183-K186 PolarHBondContact O-N 3.18Å; F183-Y247 HydrophobicContact CB-CD2 4.46Å; F183-Y247 HydrophobicContact CB-CE2 4.45Å; F183-Y247 AromaticContact CD1-CD2 3.64Å; F183-Y247 HydrophobicContact CD1-CD2 3.64Å; F183-Y247 HydrophobicContact CD1-CE2 4.21Å; F183-Y247 AromaticContact CD2-CD2 3.84Å; F183-Y247 HydrophobicContact CD2-CD2 3.84Å; F183-Y247 AromaticContact CD2-CE2 3.54Å; F183-Y247 HydrophobicContact CD2-CE2 3.54Å; F183-Y247 AromaticContact CE1-CD2 3.7Å; F183-Y247 HydrophobicContact CE1-CD2 3.7Å; F183-Y247 HydrophobicContact CE1-CE2 4.36Å; F183-Y247 AromaticContact CE2-CD2 3.9Å; F183-Y247 HydrophobicContact CE2-CD2 3.9Å; F183-Y247 AromaticContact CE2-CE2 3.72Å; F183-Y247 HydrophobicContact CE2-CE2 3.72Å; F183-Y247 AromaticContact CG-CD2 3.72Å; F183-Y247 HydrophobicContact CG-CD2 3.72Å; F183-Y247 AromaticContact CG-CE2 3.82Å; F183-Y247 HydrophobicContact CG-CE2 3.82Å; F183-Y247 AromaticContact CZ-CD2 3.84Å; F183-Y247 HydrophobicContact CZ-CD2 3.84Å; F183-Y247 HydrophobicContact CZ-CE2 4.14Å; F183-L248 HydrophobicContact CE2-CB 4.32Å; F183-L248 HydrophobicContact CZ-CB 3.82Å; F183-L248 HydrophobicContact CZ-CD1 3.95Å; F183-L248 HydrophobicContact CZ-CG 4.49Å; F183-L251 HydrophobicContact CE1-CB 4.02Å; F183-L251 HydrophobicContact CE1-CD2 3.69Å; F183-L251 HydrophobicContact CE1-CG 4.45Å; F183-L251 HydrophobicContact CZ-CB 4.49Å; F183-L251 HydrophobicContact CZ-CD2 3.83Å; F183-V257 HydrophobicContact CD1-CG1 3.84Å; F183-V257 HydrophobicContact CE1-CG1 4.21Å; F183-I261 HydrophobicContact CB-CD1 4.34Å; F183-I331 HydrophobicContact CD2-CG2 4.17Å; F183-I331 HydrophobicContact CE1-CG2 4.07Å; F183-I331 HydrophobicContact CE2-CG2 3.53Å; F183-I331 HydrophobicContact CZ-CG2 3.46Å; F183-I331 VanDerWaalsContact CZ-CG2 3.46Å |
| 184 | G | 91.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.2 | -35 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K180 C181 A182 K186 V187 I310 M314 | K180-G184 PolarHBondContact O-N 3.07Å; C181-G184 WeakPolarHBondContact O-CA 3.4Å; C181-G184 PolarHBondContact O-N 3.34Å; A182-G184 VanDerWaalsContact C-N 3.35Å; G184-K186 PolarHBondContact O-N 3.2Å; G184-V187 WeakPolarHBondContact O-CB 3.35Å; G184-V187 PolarHBondContact O-N 2.96Å; G184-I310 WeakPolarHBondContact CA-O 3.24Å; G184-M314 WeakPolarHBondContact O-CG 3.24Å |
| 185 | C | 92.6 | Very high | 89.4 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -19.1 | 173.8 | -62.1 | 0 | 0 | 0 | 0 | 114.2 | C181 A182 F183 G313 K317 T324 L328 | C181-C185 PolarHBondContact O-N 3.26Å; A182-C185 WeakPolarHBondContact O-CB 3.33Å; A182-C185 PolarHBondContact O-N 2.97Å; F183-C185 PolarHBondContact O-N 2.8Å; C185-G313 PolarHBondContact SG-O 3.48Å; C185-K317 VanDerWaalsContact O-CD 3.31Å; C185-K317 WeakPolarHBondContact O-CD 3.28Å; C185-K317 WeakPolarHBondContact O-CE 3.41Å; C185-T324 HydrophobicContact CB-CG2 4.07Å; C185-L328 HydrophobicContact CB-CD2 4Å |
| 186 | K | 91.1 | Very high | 89.3 | Confident | 87 Ų | 87 | 49.1 Ų | 49.1 | 38% | 0.378 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -12.9 | 175.1 | -80.7 | -74.4 | -174.4 | 173.2 | 0 | 113.5 | F183 G184 E188 V257 L328 I331 | F183-K186 WeakPolarHBondContact O-CA 3.23Å; F183-K186 WeakPolarHBondContact O-CB 3.44Å; F183-K186 PolarHBondContact O-N 3.18Å; G184-K186 PolarHBondContact O-N 3.2Å; K186-E188 PolarHBondContact O-N 2.84Å; K186-V257 HydrophobicContact CB-CG1 4.29Å; K186-L328 HydrophobicContact CD-CD2 3.88Å; K186-L328 HydrophobicContact CG-CD2 3.64Å; K186-I331 HydrophobicContact CG-CD1 3.75Å |
| 187 | V | 90.9 | Very high | 89.3 | Confident | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | trans | -68.4 | 129.3 | -179.2 | 176.5 | 0 | 0 | 0 | 0 | 110.1 | G184 T258 I261 I310 M314 K317 | G184-V187 WeakPolarHBondContact O-CB 3.35Å; G184-V187 PolarHBondContact O-N 2.96Å; V187-T258 HydrophobicContact CG1-CG2 4.11Å; V187-I261 HydrophobicContact CG2-CD1 3.57Å; V187-I261 HydrophobicContact CG2-CG2 4.48Å; V187-I310 HydrophobicContact CG2-CG2 4.31Å; V187-M314 HydrophobicContact CB-CG 3.86Å; V187-M314 HydrophobicContact CB-SD 4.09Å; V187-M314 HydrophobicContact CG1-CE 3.82Å; V187-M314 HydrophobicContact CG1-CG 4.16Å; V187-M314 HydrophobicContact CG1-SD 3.78Å; V187-M314 HydrophobicContact CG2-CG 4.26Å; V187-M314 HydrophobicContact CG2-SD 4.36Å; V187-K317 PolarHBondContact O-NZ 3.41Å | ||
| 188 | E | 87.6 | Confident | 89.3 | Confident | 98 Ų | 98 | 61.7 Ų | 61.7 | 46% | 0.458 | 29% | 0.29 | S | S | . | . | trans | -102.4 | 121.1 | 175.4 | -70.7 | 175.3 | -169.1 | 0 | 0 | 109.8 | K186 E190 V191 L192 T258 | K186-E188 PolarHBondContact O-N 2.84Å; E188-E190 VanDerWaalsContact C-N 3.26Å; E188-E190 PolarHBondContact O-N 3.03Å; E188-V191 HydrophobicContact CB-CB 4.01Å; E188-V191 HydrophobicContact CB-CG2 3.73Å; E188-V191 PolarHBondContact O-N 3.42Å; E188-V191 VanDerWaalsContact OE2-CG2 3.29Å; E188-V191 WeakPolarHBondContact OE2-CG2 3.31Å; E188-L192 PolarHBondContact O-N 3.3Å; E188-T258 PolarHBondContact N-OG1 3.28Å; E188-T258 VanDerWaalsContact N-OG1 3.12Å | ||
| 189 | V | 86.6 | Confident | 89.3 | Confident | 70 Ų | 70 | 61.5 Ų | 61.5 | 42% | 0.424 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.4 | -33.3 | -174 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | L192 R193 M314 | V189-L192 PolarHBondContact O-N 2.85Å; V189-R193 WeakPolarHBondContact O-CB 3.5Å; V189-R193 PolarHBondContact O-N 3.47Å; V189-M314 HydrophobicContact CG2-CE 4.38Å |
| 190 | E | 86.4 | Confident | 89.4 | Confident | 139 Ų | 139 | 65.9 Ų | 65.9 | 65% | 0.65 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.2 | -44.8 | 176 | -59.9 | 74.4 | -161.6 | 0 | 0 | 111 | E188 R193 A194 | E188-E190 VanDerWaalsContact C-N 3.26Å; E188-E190 PolarHBondContact O-N 3.03Å; E190-R193 PolarHBondContact O-N 3.23Å; E190-A194 WeakPolarHBondContact O-CB 3.19Å; E190-A194 PolarHBondContact O-N 3Å |
| 191 | V | 85.1 | Confident | 89.5 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 21% | 0.212 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 176 | 178.7 | 0 | 0 | 0 | 0 | 110 | E188 R193 A194 L195 T258 | E188-V191 HydrophobicContact CB-CB 4.01Å; E188-V191 HydrophobicContact CB-CG2 3.73Å; E188-V191 PolarHBondContact O-N 3.42Å; E188-V191 VanDerWaalsContact OE2-CG2 3.29Å; E188-V191 WeakPolarHBondContact OE2-CG2 3.31Å; V191-R193 VanDerWaalsContact C-N 3.32Å; V191-R193 PolarHBondContact O-N 2.93Å; V191-A194 WeakPolarHBondContact O-CB 3.21Å; V191-A194 PolarHBondContact O-N 2.76Å; V191-A194 VanDerWaalsContact O-N 3.15Å; V191-L195 HydrophobicContact CG1-CD1 4.35Å; V191-L195 HydrophobicContact CG1-CG 4.49Å; V191-L195 VanDerWaalsContact O-CG 3.32Å; V191-L195 WeakPolarHBondContact O-CG 3.34Å; V191-L195 PolarHBondContact O-N 2.82Å; V191-T258 HydrophobicContact CB-CG2 3.95Å; V191-T258 HydrophobicContact CG1-CG2 3.77Å |
| 192 | L | 87.1 | Confident | 89.6 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 28% | 0.277 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.9 | -44 | 175.8 | -176.5 | 64.2 | 0 | 0 | 0 | 111.8 | E188 V189 A194 L195 L196 T258 S262 M314 | E188-L192 PolarHBondContact O-N 3.3Å; V189-L192 PolarHBondContact O-N 2.85Å; L192-A194 PolarHBondContact O-N 3.24Å; L192-L195 WeakPolarHBondContact O-CB 3.27Å; L192-L195 PolarHBondContact O-N 3.48Å; L192-L196 PolarHBondContact O-N 2.95Å; L192-L196 VanDerWaalsContact O-N 3.16Å; L192-T258 HydrophobicContact CB-CG2 4.21Å; L192-S262 WeakPolarHBondContact CD1-OG 3.39Å; L192-M314 HydrophobicContact CD2-CE 4.36Å |
| 193 | R | 87.4 | Confident | 89.7 | Confident | 155 Ų | 155 | 71.4 Ų | 71.4 | 59% | 0.585 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.8 | -38 | 176.8 | -169.6 | 177.8 | -172.8 | -176.5 | 3 | 112.1 | V189 E190 V191 L195 L196 R197 | V189-R193 WeakPolarHBondContact O-CB 3.5Å; V189-R193 PolarHBondContact O-N 3.47Å; E190-R193 PolarHBondContact O-N 3.23Å; V191-R193 VanDerWaalsContact C-N 3.32Å; V191-R193 PolarHBondContact O-N 2.93Å; R193-L195 VanDerWaalsContact C-N 3.35Å; R193-L196 PolarHBondContact O-N 3.43Å; R193-R197 PolarHBondContact O-N 3.41Å |
| 194 | A | 86.6 | Confident | 89.9 | Confident | 51 Ų | 51 | 72.3 Ų | 72.3 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | E190 V191 L192 L196 R197 R198 | E190-A194 WeakPolarHBondContact O-CB 3.19Å; E190-A194 PolarHBondContact O-N 3Å; V191-A194 WeakPolarHBondContact O-CB 3.21Å; V191-A194 PolarHBondContact O-N 2.76Å; V191-A194 VanDerWaalsContact O-N 3.15Å; L192-A194 PolarHBondContact O-N 3.24Å; A194-L196 VanDerWaalsContact C-N 3.33Å; A194-L196 PolarHBondContact O-N 3.47Å; A194-R197 PolarHBondContact O-N 3Å; A194-R197 VanDerWaalsContact O-N 3.12Å; A194-R198 PolarHBondContact O-N 2.92Å |
| 195 | L | 88.8 | Confident | 90 | Very high | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 175.5 | -70.7 | 173.5 | 0 | 0 | 0 | 112.1 | V191 L192 R193 R197 R198 P199 L202 T258 L259 | V191-L195 HydrophobicContact CG1-CD1 4.35Å; V191-L195 HydrophobicContact CG1-CG 4.49Å; V191-L195 VanDerWaalsContact O-CG 3.32Å; V191-L195 WeakPolarHBondContact O-CG 3.34Å; V191-L195 PolarHBondContact O-N 2.82Å; L192-L195 WeakPolarHBondContact O-CB 3.27Å; L192-L195 PolarHBondContact O-N 3.48Å; R193-L195 VanDerWaalsContact C-N 3.35Å; L195-R197 VanDerWaalsContact C-N 3.27Å; L195-R197 PolarHBondContact O-N 2.66Å; L195-R198 CarbonylContact O-C 3.57Å; L195-R198 PolarHBondContact O-N 3.5Å; L195-P199 VanDerWaalsContact O-CA 3.22Å; L195-P199 WeakPolarHBondContact O-CA 3.4Å; L195-P199 VanDerWaalsContact O-N 3.1Å; L195-L202 HydrophobicContact CB-CD1 4.48Å; L195-T258 HydrophobicContact CD1-CG2 4.4Å; L195-L259 HydrophobicContact CD1-CB 4.16Å; L195-L259 HydrophobicContact CD1-CD1 4.05Å; L195-L259 HydrophobicContact CD2-CD1 3.67Å |
| 196 | L | 86.1 | Confident | 90.1 | Very high | 133 Ų | 133 | 74.1 Ų | 74.1 | 70% | 0.696 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.1 | -30.2 | 175.3 | -67.2 | 173.9 | 0 | 0 | 0 | 112.8 | L192 R193 A194 | L192-L196 PolarHBondContact O-N 2.95Å; L192-L196 VanDerWaalsContact O-N 3.16Å; R193-L196 PolarHBondContact O-N 3.43Å; A194-L196 VanDerWaalsContact C-N 3.33Å; A194-L196 PolarHBondContact O-N 3.47Å |
| 197 | R | 87.8 | Confident | 90.3 | Very high | 174 Ų | 174 | 73.8 Ų | 73.8 | 66% | 0.657 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -79.2 | -31.8 | 176 | -70 | 177.3 | 177.1 | 158.5 | -3.9 | 112.9 | R193 A194 L195 | R193-R197 PolarHBondContact O-N 3.41Å; A194-R197 PolarHBondContact O-N 3Å; A194-R197 VanDerWaalsContact O-N 3.12Å; L195-R197 VanDerWaalsContact C-N 3.27Å; L195-R197 PolarHBondContact O-N 2.66Å |
| 198 | R | 87.9 | Confident | 90.5 | Very high | 212 Ų | 212 | 73.5 Ų | 73.5 | 80% | 0.8 | 36% | 0.356 | S | S | * | . | trans | -134 | 76.8 | -179.2 | -68.2 | -172.2 | 178 | -178.4 | -0.3 | 110 | A194 L195 M200 | A194-R198 PolarHBondContact O-N 2.92Å; L195-R198 CarbonylContact O-C 3.57Å; L195-R198 PolarHBondContact O-N 3.5Å; R198-M200 PolarHBondContact O-N 3.4Å | ||
| 199 | P | 92.9 | Very high | 90.8 | Very high | 50 Ų | 50 | 69 Ų | 69 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 17.2 | -171.7 | 33.5 | -37.8 | 0 | 0 | 0 | 113.9 | L195 A201 L202 L203 | L195-P199 VanDerWaalsContact O-CA 3.22Å; L195-P199 WeakPolarHBondContact O-CA 3.4Å; L195-P199 VanDerWaalsContact O-N 3.1Å; P199-A201 VanDerWaalsContact C-N 3.27Å; P199-A201 PolarHBondContact O-N 3.17Å; P199-L202 HydrophobicContact CB-CB 4.46Å; P199-L202 HydrophobicContact CB-CD1 4.14Å; P199-L202 WeakPolarHBondContact O-CA 3.32Å; P199-L202 WeakPolarHBondContact O-CB 3.35Å; P199-L202 PolarHBondContact O-N 2.91Å; P199-L203 HydrophobicContact CG-CD1 4.31Å; P199-L203 WeakPolarHBondContact O-CG 3.38Å; P199-L203 PolarHBondContact O-N 3.32Å |
| 200 | M | 93.3 | Very high | 91.3 | Very high | 97 Ų | 97 | 66.9 Ų | 66.9 | 48% | 0.478 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -53.6 | -43.9 | -173.8 | -168 | 67.7 | 176.2 | 0 | 0 | 112.1 | R198 L202 L203 L204 A383 L385 | R198-M200 PolarHBondContact O-N 3.4Å; M200-L202 PolarHBondContact O-N 3.24Å; M200-L203 PolarHBondContact O-N 2.99Å; M200-L204 HydrophobicContact CE-CD1 4.43Å; M200-L204 HydrophobicContact CE-CD2 4.45Å; M200-L204 HydrophobicContact CG-CD1 4.14Å; M200-L204 WeakPolarHBondContact O-CG 3.44Å; M200-L204 PolarHBondContact O-N 3.33Å; M200-A383 HydrophobicContact CE-CB 3.94Å; M200-A383 HydrophobicContact CG-CB 4.42Å; M200-L385 HydrophobicContact CG-CD2 4.5Å |
| 201 | A | 93.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 64.9 Ų | 64.9 | 3% | 0.025 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P199 G205 L259 L385 V393 | P199-A201 VanDerWaalsContact C-N 3.27Å; P199-A201 PolarHBondContact O-N 3.17Å; A201-G205 PolarHBondContact O-N 3.01Å; A201-G205 VanDerWaalsContact O-N 3.13Å; A201-L259 HydrophobicContact CB-CD1 3.79Å; A201-L259 HydrophobicContact CB-CD2 3.86Å; A201-L259 HydrophobicContact CB-CG 4.49Å; A201-L385 HydrophobicContact CB-CD1 3.71Å; A201-V393 HydrophobicContact CB-CG2 4.04Å |
| 202 | L | 94.8 | Very high | 92.2 | Very high | 19 Ų | 19 | 65.5 Ų | 65.5 | 10% | 0.099 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.8 | -46.2 | 177.3 | -64.7 | 166.3 | 0 | 0 | 0 | 110.7 | L195 P199 M200 G205 V206 L259 M263 V266 | L195-L202 HydrophobicContact CB-CD1 4.48Å; P199-L202 HydrophobicContact CB-CB 4.46Å; P199-L202 HydrophobicContact CB-CD1 4.14Å; P199-L202 WeakPolarHBondContact O-CA 3.32Å; P199-L202 WeakPolarHBondContact O-CB 3.35Å; P199-L202 PolarHBondContact O-N 2.91Å; M200-L202 PolarHBondContact O-N 3.24Å; L202-G205 PolarHBondContact O-N 3.28Å; L202-V206 WeakPolarHBondContact O-CG2 3.41Å; L202-V206 PolarHBondContact O-N 3.3Å; L202-L259 HydrophobicContact CD2-CD1 4.21Å; L202-L259 HydrophobicContact CG-CD1 4.44Å; L202-M263 HydrophobicContact CD2-CB 4.37Å; L202-M263 HydrophobicContact CD2-CG 3.63Å; L202-V266 HydrophobicContact CD2-CG2 4.39Å |
| 203 | L | 94.9 | Very high | 92.7 | Very high | 108 Ų | 108 | 63 Ų | 63 | 57% | 0.565 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.9 | -43.1 | 180 | -67.3 | 175.6 | 0 | 0 | 0 | 111.9 | P199 M200 G205 V206 L207 | P199-L203 HydrophobicContact CG-CD1 4.31Å; P199-L203 WeakPolarHBondContact O-CG 3.38Å; P199-L203 PolarHBondContact O-N 3.32Å; M200-L203 PolarHBondContact O-N 2.99Å; L203-G205 VanDerWaalsContact C-N 3.33Å; L203-G205 PolarHBondContact O-N 3.07Å; L203-V206 PolarHBondContact O-N 3.2Å; L203-L207 VanDerWaalsContact O-CB 3.29Å; L203-L207 WeakPolarHBondContact O-CB 3.33Å; L203-L207 PolarHBondContact O-N 3.03Å |
| 204 | L | 94.9 | Very high | 93.2 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 177 | -68.2 | 169.4 | 0 | 0 | 0 | 112.1 | M200 A208 L379 A383 L385 | M200-L204 HydrophobicContact CE-CD1 4.43Å; M200-L204 HydrophobicContact CE-CD2 4.45Å; M200-L204 HydrophobicContact CG-CD1 4.14Å; M200-L204 WeakPolarHBondContact O-CG 3.44Å; M200-L204 PolarHBondContact O-N 3.33Å; L204-A208 VanDerWaalsContact O-CB 3.26Å; L204-A208 WeakPolarHBondContact O-CB 3.28Å; L204-A208 PolarHBondContact O-N 3.45Å; L204-L379 HydrophobicContact CD2-CB 4.4Å; L204-A383 HydrophobicContact CD1-CB 3.33Å; L204-L385 HydrophobicContact CD1-CD1 4.14Å |
| 205 | G | 93.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -51.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A201 L202 L203 L207 A208 Q209 | A201-G205 PolarHBondContact O-N 3.01Å; A201-G205 VanDerWaalsContact O-N 3.13Å; L202-G205 PolarHBondContact O-N 3.28Å; L203-G205 VanDerWaalsContact C-N 3.33Å; L203-G205 PolarHBondContact O-N 3.07Å; G205-L207 VanDerWaalsContact C-N 3.32Å; G205-L207 PolarHBondContact O-N 3.29Å; G205-A208 PolarHBondContact O-N 2.98Å; G205-Q209 WeakPolarHBondContact O-CB 3.24Å; G205-Q209 PolarHBondContact O-N 3.35Å |
| 206 | V | 94.8 | Very high | 94.1 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 24% | 0.236 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.5 | -45 | 178 | 168.5 | 0 | 0 | 0 | 0 | 111 | L202 L203 Q209 F210 V266 V270 | L202-V206 WeakPolarHBondContact O-CG2 3.41Å; L202-V206 PolarHBondContact O-N 3.3Å; L203-V206 PolarHBondContact O-N 3.2Å; V206-Q209 PolarHBondContact O-N 3.2Å; V206-F210 HydrophobicContact CB-CD2 4.49Å; V206-F210 HydrophobicContact CG1-CD2 4.02Å; V206-F210 WeakPolarHBondContact O-CD2 3.44Å; V206-F210 PolarHBondContact O-N 2.9Å; V206-V266 HydrophobicContact CG2-CG1 4.13Å; V206-V270 HydrophobicContact CG1-CG1 4.21Å; V206-V270 HydrophobicContact CG2-CG2 4.46Å |
| 207 | L | 95.4 | Very high | 94.6 | Very high | 80 Ų | 80 | 52.9 Ų | 52.9 | 42% | 0.419 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.1 | -51 | 177.4 | -176.1 | 72 | 0 | 0 | 0 | 111.3 | L203 G205 Q209 L211 V212 | L203-L207 VanDerWaalsContact O-CB 3.29Å; L203-L207 WeakPolarHBondContact O-CB 3.33Å; L203-L207 PolarHBondContact O-N 3.03Å; G205-L207 VanDerWaalsContact C-N 3.32Å; G205-L207 PolarHBondContact O-N 3.29Å; L207-Q209 VanDerWaalsContact C-N 3.33Å; L207-Q209 PolarHBondContact O-N 3.16Å; L207-L211 HydrophobicContact CD1-CB 4.26Å; L207-L211 HydrophobicContact CD1-CD2 3.58Å; L207-L211 HydrophobicContact CG-CD2 4.49Å; L207-L211 WeakPolarHBondContact O-CA 3.3Å; L207-L211 WeakPolarHBondContact O-CB 3.33Å; L207-L211 PolarHBondContact O-N 2.82Å; L207-V212 PolarHBondContact O-N 3.46Å |
| 208 | A | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -59.2 | -47.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L204 G205 V212 M213 V375 L379 V397 | L204-A208 VanDerWaalsContact O-CB 3.26Å; L204-A208 WeakPolarHBondContact O-CB 3.28Å; L204-A208 PolarHBondContact O-N 3.45Å; G205-A208 PolarHBondContact O-N 2.98Å; A208-V212 WeakPolarHBondContact O-CB 3.32Å; A208-V212 PolarHBondContact O-N 2.79Å; A208-V212 VanDerWaalsContact O-N 3.12Å; A208-M213 WeakPolarHBondContact O-CG 3.48Å; A208-M213 PolarHBondContact O-N 2.89Å; A208-V375 HydrophobicContact CB-CG1 4.02Å; A208-L379 HydrophobicContact CB-CD1 3.79Å; A208-V397 HydrophobicContact CB-CB 4.36Å; A208-V397 HydrophobicContact CB-CG1 3.75Å; A208-V397 HydrophobicContact CB-CG2 3.57Å |
| 209 | Q | 94.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -74.2 | -38.3 | -170.4 | -172.5 | 149.3 | 24.8 | 0 | 0 | 113.7 | G205 V206 L207 P214 C238 A240 P241 | G205-Q209 WeakPolarHBondContact O-CB 3.24Å; G205-Q209 PolarHBondContact O-N 3.35Å; V206-Q209 PolarHBondContact O-N 3.2Å; L207-Q209 VanDerWaalsContact C-N 3.33Å; L207-Q209 PolarHBondContact O-N 3.16Å; Q209-P214 WeakPolarHBondContact O-CD 3.43Å; Q209-C238 VanDerWaalsContact O-O 3.12Å; Q209-A240 PolarHBondContact NE2-O 3.19Å; Q209-P241 PolarHBondContact NE2-O 3.31Å |
| 210 | F | 95.3 | Very high | 95.6 | Very high | 25 Ų | 25 | 37.8 Ų | 37.8 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -105.5 | -8 | -176.2 | -61.3 | -72.8 | 0 | 0 | 0 | 114 | V206 S239 P241 S267 V270 A271 A274 | V206-F210 HydrophobicContact CB-CD2 4.49Å; V206-F210 HydrophobicContact CG1-CD2 4.02Å; V206-F210 WeakPolarHBondContact O-CD2 3.44Å; V206-F210 PolarHBondContact O-N 2.9Å; F210-S239 WeakPolarHBondContact CE1-O 3.35Å; F210-P241 HydrophobicContact CZ-CB 4.33Å; F210-S267 VanDerWaalsContact CZ-O 3.27Å; F210-S267 WeakPolarHBondContact CZ-O 3.42Å; F210-V270 HydrophobicContact CD2-CB 4.45Å; F210-V270 HydrophobicContact CD2-CG1 3.7Å; F210-V270 HydrophobicContact CE2-CB 3.94Å; F210-V270 HydrophobicContact CE2-CG1 3.67Å; F210-V270 HydrophobicContact CG-CG1 4.24Å; F210-V270 HydrophobicContact CZ-CB 4.31Å; F210-V270 HydrophobicContact CZ-CG1 4.19Å; F210-A271 HydrophobicContact CE1-CB 3.97Å; F210-A271 HydrophobicContact CZ-CB 4.02Å; F210-A274 HydrophobicContact CB-CB 4.07Å; F210-A274 HydrophobicContact CD1-CB 3.32Å; F210-A274 HydrophobicContact CE1-CB 3.84Å; F210-A274 HydrophobicContact CG-CB 3.75Å |
| 211 | L | 95.4 | Very high | 95.7 | Very high | 98 Ų | 98 | 33.2 Ų | 33.2 | 51% | 0.513 | 18% | 0.178 | S | C | . | . | I | π-helix | trans | -112.3 | -56.5 | 173.9 | -169.7 | 65.7 | 0 | 0 | 0 | 112.1 | L207 L215 | L207-L211 HydrophobicContact CD1-CB 4.26Å; L207-L211 HydrophobicContact CD1-CD2 3.58Å; L207-L211 HydrophobicContact CG-CD2 4.49Å; L207-L211 WeakPolarHBondContact O-CA 3.3Å; L207-L211 WeakPolarHBondContact O-CB 3.33Å; L207-L211 PolarHBondContact O-N 2.82Å; L211-L215 VanDerWaalsContact O-CB 3.28Å; L211-L215 WeakPolarHBondContact O-CB 3.37Å; L211-L215 PolarHBondContact O-N 2.92Å |
| 212 | V | 97 | Very high | 95.7 | Very high | 48 Ų | 48 | 40.5 Ų | 40.5 | 29% | 0.291 | 20% | 0.204 | S | C | . | . | I | π-helix | trans | -73.7 | -45.3 | -171.9 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | L207 A208 L215 Y216 V375 | L207-V212 PolarHBondContact O-N 3.46Å; A208-V212 WeakPolarHBondContact O-CB 3.32Å; A208-V212 PolarHBondContact O-N 2.79Å; A208-V212 VanDerWaalsContact O-N 3.12Å; V212-L215 PolarHBondContact O-N 3.37Å; V212-Y216 WeakPolarHBondContact O-CB 3.4Å; V212-Y216 PolarHBondContact O-N 3.27Å; V212-V375 HydrophobicContact CB-CG1 4.24Å; V212-V375 HydrophobicContact CG1-CG1 3.89Å; V212-V375 HydrophobicContact CG1-CG2 4.09Å; V212-V375 HydrophobicContact CG2-CG1 4.47Å |
| 213 | M | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67 | -44.7 | -176.2 | -62.6 | -66.5 | -91.3 | 0 | 0 | 113.3 | A208 L215 Y216 A217 C238 V368 L371 G372 V397 Q400 | A208-M213 WeakPolarHBondContact O-CG 3.48Å; A208-M213 PolarHBondContact O-N 2.89Å; M213-L215 VanDerWaalsContact C-N 3.34Å; M213-L215 PolarHBondContact O-N 2.81Å; M213-Y216 WeakPolarHBondContact O-CB 3.29Å; M213-Y216 PolarHBondContact O-N 3.2Å; M213-A217 PolarHBondContact O-N 3.35Å; M213-C238 HydrophobicContact CB-CB 4.15Å; M213-C238 WeakPolarHBondContact CB-O 3.4Å; M213-C238 WeakPolarHBondContact O-CB 3.29Å; M213-V368 HydrophobicContact CE-CG1 4.3Å; M213-L371 HydrophobicContact SD-CD2 4.29Å; M213-G372 VanDerWaalsContact SD-CA 3.55Å; M213-V397 HydrophobicContact CE-CG1 4.37Å; M213-V397 WeakPolarHBondContact CE-O 3.1Å; M213-V397 HydrophobicContact CG-CG1 3.99Å; M213-V397 HydrophobicContact SD-CG1 4.19Å; M213-Q400 VanDerWaalsContact CE-NE2 3.33Å |
| 214 | P | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.9 | -37.8 | 175.4 | -23.9 | 36 | 0 | 0 | 0 | 112.5 | Q209 Y216 A217 Y218 C238 S239 Y282 | Q209-P214 WeakPolarHBondContact O-CD 3.43Å; P214-Y216 VanDerWaalsContact C-N 3.35Å; P214-A217 PolarHBondContact O-N 2.94Å; P214-Y218 PolarHBondContact O-N 3.22Å; P214-C238 WeakPolarHBondContact CD-O 3.45Å; P214-C238 WeakPolarHBondContact CG-O 3.4Å; P214-S239 WeakPolarHBondContact CB-OG 3.33Å; P214-S239 VanDerWaalsContact CG-OG 3.31Å; P214-S239 WeakPolarHBondContact CG-OG 3.26Å; P214-Y282 HydrophobicContact CB-CD2 4.33Å; P214-Y282 HydrophobicContact CB-CE2 3.58Å |
| 215 | L | 97.1 | Very high | 95.6 | Very high | 86 Ų | 86 | 48.6 Ų | 48.6 | 45% | 0.45 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 175.9 | 178.5 | 62.4 | 0 | 0 | 0 | 110.9 | L211 V212 M213 A217 Y218 C219 Y282 | L211-L215 VanDerWaalsContact O-CB 3.28Å; L211-L215 WeakPolarHBondContact O-CB 3.37Å; L211-L215 PolarHBondContact O-N 2.92Å; V212-L215 PolarHBondContact O-N 3.37Å; M213-L215 VanDerWaalsContact C-N 3.34Å; M213-L215 PolarHBondContact O-N 2.81Å; L215-A217 PolarHBondContact O-N 2.74Å; L215-Y218 PolarHBondContact O-N 2.93Å; L215-C219 PolarHBondContact O-N 3.29Å; L215-C219 PolarHBondContact O-SG 3.44Å; L215-C219 VanDerWaalsContact O-SG 3.34Å; L215-Y282 VanDerWaalsContact CA-OH 3.32Å; L215-Y282 WeakPolarHBondContact CA-OH 3.1Å; L215-Y282 PolarHBondContact N-OH 3.27Å |
| 216 | Y | 97.7 | Very high | 95.3 | Very high | 48 Ų | 48 | 49.2 Ų | 49.2 | 19% | 0.188 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.1 | -49.2 | 173.3 | 164.4 | -105.5 | 0 | 0 | 0 | 111.8 | V212 M213 P214 Y218 C219 A220 T367 V368 L371 | V212-Y216 WeakPolarHBondContact O-CB 3.4Å; V212-Y216 PolarHBondContact O-N 3.27Å; M213-Y216 WeakPolarHBondContact O-CB 3.29Å; M213-Y216 PolarHBondContact O-N 3.2Å; P214-Y216 VanDerWaalsContact C-N 3.35Å; Y216-Y218 VanDerWaalsContact C-N 3.3Å; Y216-Y218 PolarHBondContact O-N 3.23Å; Y216-C219 PolarHBondContact O-N 3.01Å; Y216-A220 HydrophobicContact CD2-CB 4.45Å; Y216-A220 HydrophobicContact CE2-CB 4.02Å; Y216-A220 VanDerWaalsContact O-CB 3.26Å; Y216-A220 WeakPolarHBondContact O-CB 3.25Å; Y216-A220 PolarHBondContact O-N 2.9Å; Y216-T367 WeakPolarHBondContact OH-CB 3.5Å; Y216-T367 PolarHBondContact OH-OG1 2.92Å; Y216-V368 HydrophobicContact CE1-CG2 3.81Å; Y216-L371 HydrophobicContact CD1-CD2 3.46Å; Y216-L371 VanDerWaalsContact CD1-CD2 3.46Å; Y216-L371 HydrophobicContact CD2-CD1 4.4Å; Y216-L371 HydrophobicContact CD2-CD2 3.29Å; Y216-L371 HydrophobicContact CD2-CG 4.42Å; Y216-L371 HydrophobicContact CE1-CD2 3.88Å; Y216-L371 HydrophobicContact CE2-CD1 4.34Å; Y216-L371 HydrophobicContact CE2-CD2 3.73Å; Y216-L371 HydrophobicContact CG-CD2 3.12Å |
| 217 | A | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.2 | -44.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M213 P214 L215 S221 L234 V235 C238 | M213-A217 PolarHBondContact O-N 3.35Å; P214-A217 PolarHBondContact O-N 2.94Å; L215-A217 PolarHBondContact O-N 2.74Å; A217-S221 VanDerWaalsContact O-CB 3.24Å; A217-S221 WeakPolarHBondContact O-CB 3.43Å; A217-S221 PolarHBondContact O-N 3.2Å; A217-L234 HydrophobicContact CB-CD2 4.25Å; A217-L234 HydrophobicContact CB-CG 3.92Å; A217-V235 HydrophobicContact CB-CB 4.39Å; A217-V235 HydrophobicContact CB-CG2 3.86Å; A217-C238 HydrophobicContact CB-CB 3.67Å |
| 218 | Y | 96.1 | Very high | 94.7 | Very high | 44 Ų | 44 | 48.7 Ų | 48.7 | 17% | 0.173 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -49.6 | 175.5 | 173.4 | -101.6 | 0 | 0 | 0 | 112.2 | P214 L215 Y216 A220 S221 R222 Y282 L285 L286 | P214-Y218 PolarHBondContact O-N 3.22Å; L215-Y218 PolarHBondContact O-N 2.93Å; Y216-Y218 VanDerWaalsContact C-N 3.3Å; Y216-Y218 PolarHBondContact O-N 3.23Å; Y218-A220 PolarHBondContact O-N 3.02Å; Y218-S221 PolarHBondContact O-N 3.26Å; Y218-S221 PolarHBondContact O-OG 3.41Å; Y218-S221 VanDerWaalsContact O-OG 3.07Å; Y218-R222 HydrophobicContact CD2-CG 4.4Å; Y218-R222 HydrophobicContact CE1-CG 4.28Å; Y218-R222 HydrophobicContact CE2-CG 4.02Å; Y218-R222 VanDerWaalsContact O-CG 3.28Å; Y218-R222 WeakPolarHBondContact O-CG 3.37Å; Y218-R222 PolarHBondContact O-N 2.8Å; Y218-Y282 VanDerWaalsContact CB-CD1 3.49Å; Y218-Y282 HydrophobicContact CD1-CD1 4.31Å; Y218-Y282 HydrophobicContact CD1-CE1 4.22Å; Y218-Y282 AromaticContact CD2-CD1 3.68Å; Y218-Y282 HydrophobicContact CD2-CD1 3.68Å; Y218-Y282 HydrophobicContact CD2-CE1 4.37Å; Y218-Y282 AromaticContact CG-CD1 3.56Å; Y218-Y282 HydrophobicContact CG-CD1 3.56Å; Y218-Y282 AromaticContact CG-CE1 3.79Å; Y218-Y282 HydrophobicContact CG-CE1 3.79Å; Y218-L285 HydrophobicContact CD2-CB 4.45Å; Y218-L285 HydrophobicContact CE2-CB 3.62Å; Y218-L285 HydrophobicContact CE2-CD1 4.4Å; Y218-L286 HydrophobicContact CD2-CD2 3.98Å; Y218-L286 HydrophobicContact CD2-CG 4.1Å; Y218-L286 HydrophobicContact CE2-CD2 3.82Å; Y218-L286 HydrophobicContact CE2-CG 4.02Å |
| 219 | C | 97.1 | Very high | 94.2 | Very high | 67 Ų | 67 | 49.6 Ų | 49.6 | 45% | 0.453 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 179.6 | -70.6 | 0 | 0 | 0 | 0 | 111.8 | L215 Y216 R222 L223 | L215-C219 PolarHBondContact O-N 3.29Å; L215-C219 PolarHBondContact O-SG 3.44Å; L215-C219 VanDerWaalsContact O-SG 3.34Å; Y216-C219 PolarHBondContact O-N 3.01Å; C219-R222 PolarHBondContact O-N 3.2Å; C219-L223 WeakPolarHBondContact O-CB 3.12Å; C219-L223 PolarHBondContact O-N 3.14Å |
| 220 | A | 96.4 | Very high | 94 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.9 | -37.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y216 Y218 R222 L223 L224 V364 | Y216-A220 HydrophobicContact CD2-CB 4.45Å; Y216-A220 HydrophobicContact CE2-CB 4.02Å; Y216-A220 VanDerWaalsContact O-CB 3.26Å; Y216-A220 WeakPolarHBondContact O-CB 3.25Å; Y216-A220 PolarHBondContact O-N 2.9Å; Y218-A220 PolarHBondContact O-N 3.02Å; A220-R222 VanDerWaalsContact C-N 3.35Å; A220-L223 PolarHBondContact O-N 2.99Å; A220-L224 WeakPolarHBondContact O-CB 3.39Å; A220-L224 PolarHBondContact O-N 3.05Å; A220-V364 HydrophobicContact CB-CG2 3.52Å |
| 221 | S | 94.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 176.8 | 87.3 | 0 | 0 | 0 | 0 | 112.2 | A217 Y218 S225 L226 S231 | A217-S221 VanDerWaalsContact O-CB 3.24Å; A217-S221 WeakPolarHBondContact O-CB 3.43Å; A217-S221 PolarHBondContact O-N 3.2Å; Y218-S221 PolarHBondContact O-N 3.26Å; Y218-S221 PolarHBondContact O-OG 3.41Å; Y218-S221 VanDerWaalsContact O-OG 3.07Å; S221-S225 PolarHBondContact O-N 3.38Å; S221-S225 VanDerWaalsContact O-N 3.14Å; S221-L226 PolarHBondContact O-N 3.01Å; S221-S231 VanDerWaalsContact CB-OG 3.26Å; S221-S231 WeakPolarHBondContact CB-OG 3.32Å; S221-S231 WeakPolarHBondContact OG-CB 3.29Å; S221-S231 PolarHBondContact OG-OG 2.89Å |
| 222 | R | 94 | Very high | 93.6 | Very high | 156 Ų | 156 | 43.9 Ų | 43.9 | 59% | 0.589 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -69 | -43.9 | 173.9 | -65.7 | -67.7 | -69.8 | 173.1 | -3.3 | 112 | Y218 C219 A220 L224 S225 | Y218-R222 HydrophobicContact CD2-CG 4.4Å; Y218-R222 HydrophobicContact CE1-CG 4.28Å; Y218-R222 HydrophobicContact CE2-CG 4.02Å; Y218-R222 VanDerWaalsContact O-CG 3.28Å; Y218-R222 WeakPolarHBondContact O-CG 3.37Å; Y218-R222 PolarHBondContact O-N 2.8Å; C219-R222 PolarHBondContact O-N 3.2Å; A220-R222 VanDerWaalsContact C-N 3.35Å; R222-L224 VanDerWaalsContact C-N 3.33Å; R222-L224 PolarHBondContact O-N 3.02Å; R222-S225 PolarHBondContact O-N 2.92Å |
| 223 | L | 95.9 | Very high | 93.4 | Very high | 146 Ų | 146 | 41.6 Ų | 41.6 | 76% | 0.764 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -62.8 | -40.2 | -179.7 | -176.8 | 63.5 | 0 | 0 | 0 | 112 | C219 A220 S225 | C219-L223 WeakPolarHBondContact O-CB 3.12Å; C219-L223 PolarHBondContact O-N 3.14Å; A220-L223 PolarHBondContact O-N 2.99Å; L223-S225 VanDerWaalsContact C-N 3.32Å |
| 224 | L | 93.1 | Very high | 93.3 | Very high | 66 Ų | 66 | 41.6 Ų | 41.6 | 35% | 0.346 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 4.8 | 179.5 | -65.1 | 172.1 | 0 | 0 | 0 | 113.5 | A220 R222 L226 V364 | A220-L224 WeakPolarHBondContact O-CB 3.39Å; A220-L224 PolarHBondContact O-N 3.05Å; R222-L224 VanDerWaalsContact C-N 3.33Å; R222-L224 PolarHBondContact O-N 3.02Å; L224-L226 HydrophobicContact CB-CD2 4.39Å; L224-L226 HydrophobicContact CB-CG 4.25Å; L224-L226 PolarHBondContact O-N 2.92Å; L224-V364 HydrophobicContact CD1-CB 3.7Å; L224-V364 HydrophobicContact CD1-CG1 4.45Å; L224-V364 HydrophobicContact CD1-CG2 4.25Å |
| 225 | S | 91.6 | Very high | 93.2 | Very high | 103 Ų | 103 | 41.6 Ų | 41.6 | 72% | 0.72 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 44.6 | -178.3 | -58.7 | 0 | 0 | 0 | 0 | 112.9 | S221 R222 L223 | S221-S225 PolarHBondContact O-N 3.38Å; S221-S225 VanDerWaalsContact O-N 3.14Å; R222-S225 PolarHBondContact O-N 2.92Å; L223-S225 VanDerWaalsContact C-N 3.32Å |
| 226 | L | 89.2 | Confident | 93 | Very high | 14 Ų | 14 | 37.5 Ų | 37.5 | 7% | 0.073 | 20% | 0.203 | C | C | . | . | trans | -65.7 | 140.9 | 179.2 | -67.6 | -175.4 | 0 | 0 | 0 | 110.8 | S221 L224 S231 L234 Q360 I361 V364 | S221-L226 PolarHBondContact O-N 3.01Å; L224-L226 HydrophobicContact CB-CD2 4.39Å; L224-L226 HydrophobicContact CB-CG 4.25Å; L224-L226 PolarHBondContact O-N 2.92Å; L226-S231 PolarHBondContact O-OG 3.46Å; L226-L234 HydrophobicContact CD1-CD2 4.14Å; L226-Q360 HydrophobicContact CD2-CB 3.42Å; L226-Q360 VanDerWaalsContact CD2-CB 3.42Å; L226-Q360 HydrophobicContact CD2-CG 4.5Å; L226-I361 HydrophobicContact CD1-CD1 4.02Å; L226-V364 HydrophobicContact CD1-CG1 4.14Å | ||
| 227 | P | 89 | Confident | 92.9 | Very high | 44 Ų | 44 | 35.2 Ų | 35.2 | 29% | 0.286 | 19% | 0.194 | S | C | . | . | trans | -51.4 | 148.5 | 168 | -28.1 | 35.6 | 0 | 0 | 0 | 112 | A229 L230 S231 F420 | P227-A229 VanDerWaalsContact C-N 3.3Å; P227-A229 PolarHBondContact O-N 3.32Å; P227-L230 HydrophobicContact CG-CD1 4.2Å; P227-L230 PolarHBondContact O-N 2.95Å; P227-L230 VanDerWaalsContact O-N 3.09Å; P227-S231 PolarHBondContact O-N 3.2Å; P227-S231 PolarHBondContact O-OG 3.49Å; P227-F420 HydrophobicContact CB-CE1 3.88Å; P227-F420 HydrophobicContact CB-CZ 4.11Å; P227-F420 HydrophobicContact CG-CE1 4.32Å; P227-F420 HydrophobicContact CG-CZ 4.04Å | ||
| 228 | T | 87.9 | Confident | 92.8 | Very high | 65 Ų | 65 | 35.2 Ų | 35.2 | 40% | 0.399 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58 | -40.8 | -172.3 | -52.4 | 0 | 0 | 0 | 0 | 113.1 | S231 L232 L286 V288 | T228-S231 WeakPolarHBondContact O-CB 3.01Å; T228-S231 PolarHBondContact O-N 3.28Å; T228-L232 PolarHBondContact O-N 3.11Å; T228-L286 HydrophobicContact CG2-CB 4.29Å; T228-V288 HydrophobicContact CG2-CG2 3.06Å |
| 229 | A | 85.6 | Confident | 92.7 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 16% | 0.157 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.5 | -43.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P227 L232 G233 F420 A421 | P227-A229 VanDerWaalsContact C-N 3.3Å; P227-A229 PolarHBondContact O-N 3.32Å; A229-L232 PolarHBondContact O-N 3.44Å; A229-G233 PolarHBondContact O-N 3.13Å; A229-F420 HydrophobicContact CB-CD1 3.85Å; A229-F420 HydrophobicContact CB-CE1 4.21Å; A229-A421 HydrophobicContact CB-CB 4.24Å; A229-A421 WeakPolarHBondContact O-CB 3.34Å |
| 230 | L | 90.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.1 | -39.3 | 176.1 | -73.6 | 174.8 | 0 | 0 | 0 | 112 | P227 L232 G233 L234 Q358 I361 F420 Q423 | P227-L230 HydrophobicContact CG-CD1 4.2Å; P227-L230 PolarHBondContact O-N 2.95Å; P227-L230 VanDerWaalsContact O-N 3.09Å; L230-L232 VanDerWaalsContact C-N 3.32Å; L230-L232 PolarHBondContact O-N 2.81Å; L230-G233 PolarHBondContact O-N 3.3Å; L230-L234 WeakPolarHBondContact O-CB 3.49Å; L230-L234 PolarHBondContact O-N 3.31Å; L230-Q358 HydrophobicContact CD1-CB 4.24Å; L230-Q358 HydrophobicContact CD1-CG 4.16Å; L230-Q358 VanDerWaalsContact CD1-OE1 3.23Å; L230-I361 HydrophobicContact CD1-CB 4.42Å; L230-I361 HydrophobicContact CD1-CG2 4.45Å; L230-I361 HydrophobicContact CD2-CG1 4.3Å; L230-I361 HydrophobicContact CD2-CG2 4.47Å; L230-F420 HydrophobicContact CD1-CE1 3.94Å; L230-F420 HydrophobicContact CD1-CE2 3.84Å; L230-F420 HydrophobicContact CD1-CZ 3.39Å; L230-F420 HydrophobicContact CD2-CE2 4.5Å; L230-F420 HydrophobicContact CD2-CZ 4.44Å; L230-F420 WeakPolarHBondContact CD2-O 3.36Å; L230-F420 HydrophobicContact CG-CD1 4.2Å; L230-F420 HydrophobicContact CG-CE1 3.68Å; L230-F420 HydrophobicContact CG-CE2 4.17Å; L230-F420 HydrophobicContact CG-CZ 3.66Å; L230-Q423 HydrophobicContact CD2-CB 3.83Å |
| 231 | S | 92.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.5 | -45.6 | 174.8 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | S221 L226 P227 T228 L234 V235 | S221-S231 VanDerWaalsContact CB-OG 3.26Å; S221-S231 WeakPolarHBondContact CB-OG 3.32Å; S221-S231 WeakPolarHBondContact OG-CB 3.29Å; S221-S231 PolarHBondContact OG-OG 2.89Å; L226-S231 PolarHBondContact O-OG 3.46Å; P227-S231 PolarHBondContact O-N 3.2Å; P227-S231 PolarHBondContact O-OG 3.49Å; T228-S231 WeakPolarHBondContact O-CB 3.01Å; T228-S231 PolarHBondContact O-N 3.28Å; S231-L234 PolarHBondContact O-N 3.4Å; S231-V235 WeakPolarHBondContact O-CG2 3.37Å; S231-V235 PolarHBondContact O-N 2.87Å |
| 232 | L | 90 | Very high | 91.9 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.5 | -45.2 | 175.2 | -76.9 | 175.5 | 0 | 0 | 0 | 111.9 | T228 A229 L230 L234 V235 I236 L286 V288 L292 F413 | T228-L232 PolarHBondContact O-N 3.11Å; A229-L232 PolarHBondContact O-N 3.44Å; L230-L232 VanDerWaalsContact C-N 3.32Å; L230-L232 PolarHBondContact O-N 2.81Å; L232-L234 VanDerWaalsContact C-N 3.26Å; L232-L234 PolarHBondContact O-N 3.39Å; L232-V235 PolarHBondContact O-N 2.58Å; L232-I236 WeakPolarHBondContact O-CB 3.49Å; L232-I236 VanDerWaalsContact O-CG1 3.27Å; L232-I236 WeakPolarHBondContact O-CG1 3.45Å; L232-I236 PolarHBondContact O-N 3.36Å; L232-L286 HydrophobicContact CD2-CD1 4.05Å; L232-L286 HydrophobicContact CG-CD1 4.23Å; L232-V288 HydrophobicContact CD1-CB 4.25Å; L232-V288 HydrophobicContact CD1-CG1 4.17Å; L232-V288 HydrophobicContact CD1-CG2 3.86Å; L232-L292 HydrophobicContact CB-CD1 4.32Å; L232-L292 HydrophobicContact CD1-CD1 4.33Å; L232-L292 HydrophobicContact CD2-CD1 3.96Å; L232-L292 HydrophobicContact CG-CD1 4.45Å; L232-F413 HydrophobicContact CD1-CZ 4Å |
| 233 | G | 91.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -54 | -44 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A229 L230 T237 M409 | A229-G233 PolarHBondContact O-N 3.13Å; L230-G233 PolarHBondContact O-N 3.3Å; G233-T237 WeakPolarHBondContact O-CB 3.31Å; G233-T237 PolarHBondContact O-N 3.06Å; G233-T237 PolarHBondContact O-OG1 3.05Å; G233-M409 VanDerWaalsContact CA-SD 3.55Å |
| 234 | L | 95.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.3 | -45.1 | 179.1 | -171.3 | 67.3 | 0 | 0 | 0 | 112.4 | A217 L226 L230 S231 L232 T237 C238 I361 V364 V368 A424 V428 | A217-L234 HydrophobicContact CB-CD2 4.25Å; A217-L234 HydrophobicContact CB-CG 3.92Å; L226-L234 HydrophobicContact CD1-CD2 4.14Å; L230-L234 WeakPolarHBondContact O-CB 3.49Å; L230-L234 PolarHBondContact O-N 3.31Å; S231-L234 PolarHBondContact O-N 3.4Å; L232-L234 VanDerWaalsContact C-N 3.26Å; L232-L234 PolarHBondContact O-N 3.39Å; L234-T237 WeakPolarHBondContact O-CB 3.49Å; L234-T237 PolarHBondContact O-N 3.38Å; L234-C238 WeakPolarHBondContact O-CB 3.43Å; L234-C238 PolarHBondContact O-N 2.66Å; L234-C238 PolarHBondContact O-SG 3.3Å; L234-I361 HydrophobicContact CB-CD1 4.41Å; L234-I361 HydrophobicContact CD1-CD1 4.19Å; L234-V364 HydrophobicContact CD1-CG1 4.26Å; L234-V364 HydrophobicContact CD2-CG1 3.78Å; L234-V364 HydrophobicContact CD2-CG2 3.92Å; L234-V368 HydrophobicContact CD1-CG2 3.84Å; L234-A424 HydrophobicContact CB-CB 4.1Å; L234-V428 HydrophobicContact CD1-CG2 4.19Å |
| 235 | V | 95.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 178.3 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | A217 S231 L232 T237 C238 S239 Y282 | A217-V235 HydrophobicContact CB-CB 4.39Å; A217-V235 HydrophobicContact CB-CG2 3.86Å; S231-V235 WeakPolarHBondContact O-CG2 3.37Å; S231-V235 PolarHBondContact O-N 2.87Å; L232-V235 PolarHBondContact O-N 2.58Å; V235-T237 VanDerWaalsContact C-N 3.33Å; V235-C238 CarbonylContact O-C 3.54Å; V235-C238 PolarHBondContact O-N 3.2Å; V235-S239 WeakPolarHBondContact O-CB 3.37Å; V235-S239 PolarHBondContact O-N 3.26Å; V235-S239 PolarHBondContact O-OG 3.23Å; V235-Y282 HydrophobicContact CG1-CD2 3.57Å; V235-Y282 HydrophobicContact CG1-CE2 4.4Å; V235-Y282 HydrophobicContact CG1-CG 3.85Å; V235-Y282 HydrophobicContact CG2-CG 4.49Å |
| 236 | I | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.3 | -38 | 178 | -64.6 | -58.2 | 0 | 0 | 0 | 111 | L232 C238 S239 A240 M275 L292 A405 V408 M409 | L232-I236 WeakPolarHBondContact O-CB 3.49Å; L232-I236 VanDerWaalsContact O-CG1 3.27Å; L232-I236 WeakPolarHBondContact O-CG1 3.45Å; L232-I236 PolarHBondContact O-N 3.36Å; I236-C238 VanDerWaalsContact C-N 3.3Å; I236-C238 PolarHBondContact O-N 3.05Å; I236-S239 CarbonylContact O-C 3.59Å; I236-S239 PolarHBondContact O-N 2.96Å; I236-A240 PolarHBondContact O-N 3.43Å; I236-M275 HydrophobicContact CG2-CE 3.63Å; I236-L292 HydrophobicContact CD1-CD1 3.89Å; I236-L292 HydrophobicContact CG1-CD1 3.72Å; I236-A405 HydrophobicContact CG2-CB 4.13Å; I236-V408 HydrophobicContact CG2-CB 4.1Å; I236-V408 HydrophobicContact CG2-CG1 4.16Å; I236-V408 HydrophobicContact CG2-CG2 4.34Å; I236-M409 HydrophobicContact CB-CE 3.85Å; I236-M409 HydrophobicContact CG1-CE 3.68Å; I236-M409 HydrophobicContact CG2-CE 3.91Å |
| 237 | T | 94.8 | Very high | 89 | Confident | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.7 | -45.4 | 170.9 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | G233 L234 V235 S239 A240 Q400 P425 V428 | G233-T237 WeakPolarHBondContact O-CB 3.31Å; G233-T237 PolarHBondContact O-N 3.06Å; G233-T237 PolarHBondContact O-OG1 3.05Å; L234-T237 WeakPolarHBondContact O-CB 3.49Å; L234-T237 PolarHBondContact O-N 3.38Å; V235-T237 VanDerWaalsContact C-N 3.33Å; T237-S239 PolarHBondContact O-N 3.3Å; T237-A240 VanDerWaalsContact O-CB 3.23Å; T237-A240 WeakPolarHBondContact O-CB 3.32Å; T237-A240 PolarHBondContact O-N 3.08Å; T237-Q400 PolarHBondContact O-OE1 3.28Å; T237-P425 HydrophobicContact CG2-CB 4.33Å; T237-P425 WeakPolarHBondContact OG1-CA 3.32Å; T237-P425 WeakPolarHBondContact OG1-CB 3.43Å; T237-P425 WeakPolarHBondContact OG1-CD 3.44Å; T237-V428 HydrophobicContact CG2-CB 3.81Å; T237-V428 HydrophobicContact CG2-CG1 3.73Å; T237-V428 HydrophobicContact CG2-CG2 4.04Å |
| 238 | C | 96.1 | Very high | 89 | Confident | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -76.5 | -6.8 | 180 | -66.7 | 0 | 0 | 0 | 0 | 114.6 | Q209 M213 P214 A217 L234 V235 I236 Q400 | Q209-C238 VanDerWaalsContact O-O 3.12Å; M213-C238 HydrophobicContact CB-CB 4.15Å; M213-C238 WeakPolarHBondContact CB-O 3.4Å; M213-C238 WeakPolarHBondContact O-CB 3.29Å; P214-C238 WeakPolarHBondContact CD-O 3.45Å; P214-C238 WeakPolarHBondContact CG-O 3.4Å; A217-C238 HydrophobicContact CB-CB 3.67Å; L234-C238 WeakPolarHBondContact O-CB 3.43Å; L234-C238 PolarHBondContact O-N 2.66Å; L234-C238 PolarHBondContact O-SG 3.3Å; V235-C238 CarbonylContact O-C 3.54Å; V235-C238 PolarHBondContact O-N 3.2Å; I236-C238 VanDerWaalsContact C-N 3.3Å; I236-C238 PolarHBondContact O-N 3.05Å; C238-Q400 PolarHBondContact O-OE1 2.93Å |
| 239 | S | 94.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 3.8 | 173.3 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | F210 P214 V235 I236 T237 M275 S278 | F210-S239 WeakPolarHBondContact CE1-O 3.35Å; P214-S239 WeakPolarHBondContact CB-OG 3.33Å; P214-S239 VanDerWaalsContact CG-OG 3.31Å; P214-S239 WeakPolarHBondContact CG-OG 3.26Å; V235-S239 WeakPolarHBondContact O-CB 3.37Å; V235-S239 PolarHBondContact O-N 3.26Å; V235-S239 PolarHBondContact O-OG 3.23Å; I236-S239 CarbonylContact O-C 3.59Å; I236-S239 PolarHBondContact O-N 2.96Å; T237-S239 PolarHBondContact O-N 3.3Å; S239-M275 WeakPolarHBondContact O-CG 3.22Å; S239-S278 WeakPolarHBondContact OG-CB 3.22Å; S239-S278 PolarHBondContact OG-OG 3.33Å |
| 240 | A | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 4% | 0.038 | C | C | . | . | S | Bend | trans | -77.9 | 148.5 | -179 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q209 I236 T237 N401 A405 | Q209-A240 PolarHBondContact NE2-O 3.19Å; I236-A240 PolarHBondContact O-N 3.43Å; T237-A240 VanDerWaalsContact O-CB 3.23Å; T237-A240 WeakPolarHBondContact O-CB 3.32Å; T237-A240 PolarHBondContact O-N 3.08Å; A240-N401 HydrophobicContact CB-CB 4.37Å; A240-A405 HydrophobicContact CB-CB 4.5Å |
| 241 | P | 92.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 5% | 0.048 | C | C | . | . | trans | -66.1 | 176.3 | 174.2 | 31.5 | -35.7 | 0 | 0 | 0 | 111.7 | Q209 F210 G243 A271 N401 L404 | Q209-P241 PolarHBondContact NE2-O 3.31Å; F210-P241 HydrophobicContact CZ-CB 4.33Å; P241-G243 PolarHBondContact O-N 3.43Å; P241-A271 HydrophobicContact CB-CB 3.99Å; P241-A271 HydrophobicContact CG-CB 3.85Å; P241-N401 HydrophobicContact CG-CB 4.25Å; P241-N401 VanDerWaalsContact O-CB 3.3Å; P241-N401 WeakPolarHBondContact O-CB 3.28Å; P241-N401 PolarHBondContact O-N 3.11Å; P241-L404 HydrophobicContact CG-CD2 3.88Å | ||
| 242 | G | 86.3 | Confident | 89.7 | Confident | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 6% | 0.058 | C | C | . | . | B | Isolated β-bridge | trans | -52.5 | 137.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S267 | G242-S267 PolarHBondContact N-OG 2.88Å |
| 243 | G | 78.9 | Confident | 89.8 | Confident | 2 Ų | 2 | 9.1 Ų | 9.1 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | trans | -77.7 | 154.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P241 G245 G246 V399 | P241-G243 PolarHBondContact O-N 3.43Å; G243-G245 PolarHBondContact O-N 2.95Å; G243-G246 PolarHBondContact O-N 2.69Å; G243-V399 PolarHBondContact N-O 3.31Å | ||
| 244 | G | 69.8 | Low | 89.9 | Confident | 40 Ų | 40 | 10.9 Ų | 10.9 | 41% | 0.412 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -8.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y247 | G244-Y247 WeakPolarHBondContact O-CE1 3.49Å; G244-Y247 PolarHBondContact O-OH 3.44Å; G244-Y247 VanDerWaalsContact O-OH 3.06Å |
| 245 | G | 78.1 | Confident | 89.8 | Confident | 21 Ų | 21 | 11.5 Ų | 11.5 | 22% | 0.216 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -9.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | G243 Y247 L248 Y249 | G243-G245 PolarHBondContact O-N 2.95Å; G245-Y247 PolarHBondContact O-N 3.27Å; G245-L248 WeakPolarHBondContact O-CB 3.38Å; G245-L248 PolarHBondContact O-N 3.18Å; G245-Y249 WeakPolarHBondContact O-CD2 3.41Å; G245-Y249 PolarHBondContact O-N 2.98Å |
| 246 | G | 87.3 | Confident | 89.8 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.6 | -45 | -171 | 0 | 0 | 0 | 0 | 0 | 114.1 | G243 L248 Y249 S250 I395 E396 | G243-G246 PolarHBondContact O-N 2.69Å; G246-L248 VanDerWaalsContact C-N 3.29Å; G246-L248 PolarHBondContact O-N 3Å; G246-Y249 PolarHBondContact O-N 3.03Å; G246-S250 WeakPolarHBondContact O-CB 3.4Å; G246-S250 PolarHBondContact O-N 3.42Å; G246-S250 PolarHBondContact O-OG 3.29Å; G246-I395 WeakPolarHBondContact O-CG2 3.42Å; G246-E396 WeakPolarHBondContact CA-OE1 3.43Å |
| 247 | Y | 88.5 | Confident | 89.8 | Confident | 7 Ų | 7 | 13.7 Ų | 13.7 | 3% | 0.027 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.3 | -26.7 | 175.8 | 55.4 | -103.3 | 0 | 0 | 0 | 113.7 | K180 F183 G244 G245 L251 I261 E396 | K180-Y247 WeakPolarHBondContact CG-OH 3.33Å; K180-Y247 PolarHBondContact NZ-OH 3.3Å; F183-Y247 HydrophobicContact CB-CD2 4.46Å; F183-Y247 HydrophobicContact CB-CE2 4.45Å; F183-Y247 AromaticContact CD1-CD2 3.64Å; F183-Y247 HydrophobicContact CD1-CD2 3.64Å; F183-Y247 HydrophobicContact CD1-CE2 4.21Å; F183-Y247 AromaticContact CD2-CD2 3.84Å; F183-Y247 HydrophobicContact CD2-CD2 3.84Å; F183-Y247 AromaticContact CD2-CE2 3.54Å; F183-Y247 HydrophobicContact CD2-CE2 3.54Å; F183-Y247 AromaticContact CE1-CD2 3.7Å; F183-Y247 HydrophobicContact CE1-CD2 3.7Å; F183-Y247 HydrophobicContact CE1-CE2 4.36Å; F183-Y247 AromaticContact CE2-CD2 3.9Å; F183-Y247 HydrophobicContact CE2-CD2 3.9Å; F183-Y247 AromaticContact CE2-CE2 3.72Å; F183-Y247 HydrophobicContact CE2-CE2 3.72Å; F183-Y247 AromaticContact CG-CD2 3.72Å; F183-Y247 HydrophobicContact CG-CD2 3.72Å; F183-Y247 AromaticContact CG-CE2 3.82Å; F183-Y247 HydrophobicContact CG-CE2 3.82Å; F183-Y247 AromaticContact CZ-CD2 3.84Å; F183-Y247 HydrophobicContact CZ-CD2 3.84Å; F183-Y247 HydrophobicContact CZ-CE2 4.14Å; G244-Y247 WeakPolarHBondContact O-CE1 3.49Å; G244-Y247 PolarHBondContact O-OH 3.44Å; G244-Y247 VanDerWaalsContact O-OH 3.06Å; G245-Y247 PolarHBondContact O-N 3.27Å; Y247-L251 PolarHBondContact O-N 3.19Å; Y247-I261 HydrophobicContact CD1-CG1 4.49Å; Y247-I261 HydrophobicContact CG-CG1 4.27Å; Y247-E396 PolarHBondContact N-OE1 3.18Å |
| 248 | L | 90.3 | Very high | 89.8 | Confident | 10 Ų | 10 | 13.9 Ų | 13.9 | 5% | 0.052 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -73.4 | -47.8 | 174.2 | 164.2 | 58.7 | 0 | 0 | 0 | 111.1 | F183 G245 G246 S250 L251 L252 S335 M339 | F183-L248 HydrophobicContact CE2-CB 4.32Å; F183-L248 HydrophobicContact CZ-CB 3.82Å; F183-L248 HydrophobicContact CZ-CD1 3.95Å; F183-L248 HydrophobicContact CZ-CG 4.49Å; G245-L248 WeakPolarHBondContact O-CB 3.38Å; G245-L248 PolarHBondContact O-N 3.18Å; G246-L248 VanDerWaalsContact C-N 3.29Å; G246-L248 PolarHBondContact O-N 3Å; L248-S250 PolarHBondContact O-N 3.11Å; L248-L251 WeakPolarHBondContact O-CB 3.41Å; L248-L251 PolarHBondContact O-N 3.34Å; L248-L251 VanDerWaalsContact O-N 3.1Å; L248-L252 HydrophobicContact CD1-CD1 3.84Å; L248-L252 HydrophobicContact CD1-CG 3.99Å; L248-L252 HydrophobicContact CG-CD1 4.27Å; L248-L252 WeakPolarHBondContact O-CG 3.48Å; L248-L252 PolarHBondContact O-N 2.87Å; L248-S335 WeakPolarHBondContact CD1-OG 3.39Å; L248-S335 VanDerWaalsContact CD2-CB 3.4Å; L248-M339 HydrophobicContact CD1-CE 4.34Å; L248-M339 HydrophobicContact CD2-CE 3.26Å; L248-M339 HydrophobicContact CD2-CG 4.21Å; L248-M339 HydrophobicContact CG-CE 3.54Å |
| 249 | Y | 92.5 | Very high | 89.7 | Confident | 9 Ų | 9 | 13.9 Ų | 13.9 | 4% | 0.035 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.6 | -38.8 | 173.7 | -64.4 | -57.6 | 0 | 0 | 0 | 111.3 | G245 G246 L251 L252 L253 M339 V399 M436 V440 | G245-Y249 WeakPolarHBondContact O-CD2 3.41Å; G245-Y249 PolarHBondContact O-N 2.98Å; G246-Y249 PolarHBondContact O-N 3.03Å; Y249-L251 PolarHBondContact O-N 3.48Å; Y249-L252 PolarHBondContact O-N 3.48Å; Y249-L253 VanDerWaalsContact O-CB 3.32Å; Y249-L253 WeakPolarHBondContact O-CB 3.46Å; Y249-L253 WeakPolarHBondContact O-CG 3.17Å; Y249-L253 PolarHBondContact O-N 3.4Å; Y249-M339 HydrophobicContact CD1-CE 3.71Å; Y249-M339 HydrophobicContact CE1-CE 3.18Å; Y249-M339 HydrophobicContact CE1-SD 3.77Å; Y249-V399 HydrophobicContact CD2-CG2 4Å; Y249-V399 HydrophobicContact CE2-CG2 4.39Å; Y249-M436 HydrophobicContact CD1-CB 3.63Å; Y249-M436 HydrophobicContact CD1-CG 4.38Å; Y249-M436 HydrophobicContact CD2-CB 3.97Å; Y249-M436 HydrophobicContact CD2-CG 3.93Å; Y249-M436 HydrophobicContact CD2-SD 4.41Å; Y249-M436 HydrophobicContact CE1-CB 3.36Å; Y249-M436 HydrophobicContact CE1-CG 4.35Å; Y249-M436 HydrophobicContact CE2-CB 3.74Å; Y249-M436 HydrophobicContact CE2-CG 3.91Å; Y249-M436 HydrophobicContact CG-CB 3.92Å; Y249-M436 HydrophobicContact CG-CG 4.17Å; Y249-M436 HydrophobicContact CG-SD 4.34Å; Y249-M436 VanDerWaalsContact CZ-CB 3.43Å; Y249-V440 HydrophobicContact CD1-CG2 4.01Å |
| 250 | S | 93.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.2 | -46.6 | 172.2 | -64 | 0 | 0 | 0 | 0 | 111.4 | G246 L248 L252 L253 G254 G255 | G246-S250 WeakPolarHBondContact O-CB 3.4Å; G246-S250 PolarHBondContact O-N 3.42Å; G246-S250 PolarHBondContact O-OG 3.29Å; L248-S250 PolarHBondContact O-N 3.11Å; S250-L252 PolarHBondContact O-N 3.42Å; S250-L253 PolarHBondContact O-N 2.92Å; S250-G254 PolarHBondContact O-N 3.47Å; S250-G254 VanDerWaalsContact O-N 3.12Å; S250-G255 WeakPolarHBondContact O-CA 3.38Å; S250-G255 PolarHBondContact O-N 3.19Å |
| 251 | L | 91.9 | Very high | 89.7 | Confident | 38 Ų | 38 | 14.1 Ų | 14.1 | 20% | 0.199 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.6 | 176.1 | 67.7 | 0 | 0 | 0 | 112.5 | F183 Y247 L248 Y249 G254 V257 I331 | F183-L251 HydrophobicContact CE1-CB 4.02Å; F183-L251 HydrophobicContact CE1-CD2 3.69Å; F183-L251 HydrophobicContact CE1-CG 4.45Å; F183-L251 HydrophobicContact CZ-CB 4.49Å; F183-L251 HydrophobicContact CZ-CD2 3.83Å; Y247-L251 PolarHBondContact O-N 3.19Å; L248-L251 WeakPolarHBondContact O-CB 3.41Å; L248-L251 PolarHBondContact O-N 3.34Å; L248-L251 VanDerWaalsContact O-N 3.1Å; Y249-L251 PolarHBondContact O-N 3.48Å; L251-G254 PolarHBondContact O-N 3.47Å; L251-V257 HydrophobicContact CB-CG2 3.75Å; L251-V257 HydrophobicContact CD1-CG2 3.88Å; L251-V257 HydrophobicContact CG-CG2 4.42Å; L251-I331 HydrophobicContact CD2-CG2 3.5Å; L251-I331 VanDerWaalsContact CD2-CG2 3.5Å |
| 252 | L | 91.3 | Very high | 89.7 | Confident | 47 Ų | 47 | 14.7 Ų | 14.7 | 25% | 0.246 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69 | -36.8 | -176.2 | -66.2 | 174.4 | 0 | 0 | 0 | 112.2 | L248 Y249 S250 G254 M339 V440 | L248-L252 HydrophobicContact CD1-CD1 3.84Å; L248-L252 HydrophobicContact CD1-CG 3.99Å; L248-L252 HydrophobicContact CG-CD1 4.27Å; L248-L252 WeakPolarHBondContact O-CG 3.48Å; L248-L252 PolarHBondContact O-N 2.87Å; Y249-L252 PolarHBondContact O-N 3.48Å; S250-L252 PolarHBondContact O-N 3.42Å; L252-G254 VanDerWaalsContact C-N 3.34Å; L252-M339 HydrophobicContact CD1-CE 3.97Å; L252-V440 HydrophobicContact CB-CG1 4.34Å; L252-V440 HydrophobicContact CB-CG2 4.11Å; L252-V440 HydrophobicContact CD1-CG1 4.09Å; L252-V440 HydrophobicContact CD1-CG2 4.2Å |
| 253 | L | 93.3 | Very high | 90.1 | Very high | 17 Ų | 17 | 15.1 Ų | 15.1 | 9% | 0.089 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -88.8 | 0.5 | -177.6 | -63.4 | 173.6 | 0 | 0 | 0 | 113.6 | Y249 S250 K391 I395 I439 V440 S443 | Y249-L253 VanDerWaalsContact O-CB 3.32Å; Y249-L253 WeakPolarHBondContact O-CB 3.46Å; Y249-L253 WeakPolarHBondContact O-CG 3.17Å; Y249-L253 PolarHBondContact O-N 3.4Å; S250-L253 PolarHBondContact O-N 2.92Å; L253-K391 WeakPolarHBondContact O-CD 2.96Å; L253-K391 PolarHBondContact O-NZ 2.67Å; L253-I395 HydrophobicContact CB-CD1 4.33Å; L253-I395 HydrophobicContact CD1-CD1 3.8Å; L253-I395 HydrophobicContact CD1-CG1 4.49Å; L253-I439 HydrophobicContact CD1-CG2 3.79Å; L253-I439 HydrophobicContact CD2-CG2 3.89Å; L253-V440 HydrophobicContact CD1-CG2 4.35Å; L253-V440 HydrophobicContact CD2-CG2 3.96Å; L253-V440 HydrophobicContact CG-CG2 4.02Å; L253-S443 WeakPolarHBondContact CD2-OG 3.31Å |
| 254 | G | 92.4 | Very high | 90.7 | Very high | 37 Ų | 37 | 15 Ų | 15 | 38% | 0.381 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 37.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S250 L251 L252 | S250-G254 PolarHBondContact O-N 3.47Å; S250-G254 VanDerWaalsContact O-N 3.12Å; L251-G254 PolarHBondContact O-N 3.47Å; L252-G254 VanDerWaalsContact C-N 3.34Å |
| 255 | G | 94.3 | Very high | 91.7 | Very high | 13 Ų | 13 | 15.2 Ų | 15.2 | 13% | 0.134 | 10% | 0.098 | C | C | . | . | trans | -83.2 | 174.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S250 V257 P388 | S250-G255 WeakPolarHBondContact O-CA 3.38Å; S250-G255 PolarHBondContact O-N 3.19Å; G255-V257 PolarHBondContact O-N 3.26Å; G255-P388 WeakPolarHBondContact CA-O 3.17Å | ||
| 256 | D | 94.5 | Very high | 92.4 | Very high | 31 Ų | 31 | 17 Ų | 17 | 17% | 0.166 | 10% | 0.104 | C | C | . | . | trans | -80.5 | 110.5 | 172.6 | -175.6 | -24 | 0 | 0 | 0 | 110.2 | T258 L259 A260 P388 T392 | D256-T258 PolarHBondContact OD1-N 3Å; D256-L259 HydrophobicContact CB-CB 3.84Å; D256-L259 VanDerWaalsContact CG-CB 3.49Å; D256-L259 PolarHBondContact OD1-N 2.89Å; D256-A260 PolarHBondContact O-N 3.2Å; D256-A260 VanDerWaalsContact O-N 3.07Å; D256-P388 HydrophobicContact CB-CB 4.36Å; D256-P388 PolarHBondContact N-O 3.39Å; D256-T392 WeakPolarHBondContact CA-OG1 3.34Å; D256-T392 PolarHBondContact N-OG1 3.11Å; D256-T392 WeakPolarHBondContact O-CG2 3.41Å; D256-T392 PolarHBondContact O-OG1 3.37Å | ||
| 257 | V | 93.3 | Very high | 92.6 | Very high | 15 Ų | 15 | 17.1 Ų | 17.1 | 9% | 0.091 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -73.4 | -35.4 | -177.8 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | F183 K186 L251 G255 L259 A260 I261 | F183-V257 HydrophobicContact CD1-CG1 3.84Å; F183-V257 HydrophobicContact CE1-CG1 4.21Å; K186-V257 HydrophobicContact CB-CG1 4.29Å; L251-V257 HydrophobicContact CB-CG2 3.75Å; L251-V257 HydrophobicContact CD1-CG2 3.88Å; L251-V257 HydrophobicContact CG-CG2 4.42Å; G255-V257 PolarHBondContact O-N 3.26Å; V257-L259 VanDerWaalsContact C-N 3.34Å; V257-A260 PolarHBondContact O-N 2.64Å; V257-I261 HydrophobicContact CG1-CD1 3.97Å; V257-I261 WeakPolarHBondContact O-CG1 3.16Å; V257-I261 PolarHBondContact O-N 3.17Å |
| 258 | T | 93.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 16.8 Ų | 16.8 | 3% | 0.031 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.9 | -42.4 | 177.8 | -62.2 | 0 | 0 | 0 | 0 | 110.1 | V187 E188 V191 L192 L195 D256 S262 | V187-T258 HydrophobicContact CG1-CG2 4.11Å; E188-T258 PolarHBondContact N-OG1 3.28Å; E188-T258 VanDerWaalsContact N-OG1 3.12Å; V191-T258 HydrophobicContact CB-CG2 3.95Å; V191-T258 HydrophobicContact CG1-CG2 3.77Å; L192-T258 HydrophobicContact CB-CG2 4.21Å; L195-T258 HydrophobicContact CD1-CG2 4.4Å; D256-T258 PolarHBondContact OD1-N 3Å; T258-S262 WeakPolarHBondContact O-CB 3.39Å; T258-S262 PolarHBondContact O-N 3.31Å; T258-S262 PolarHBondContact O-OG 3.09Å |
| 259 | L | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 172.2 | 175.2 | 61.7 | 0 | 0 | 0 | 111.5 | L195 A201 L202 D256 V257 I261 S262 M263 Q389 T392 V393 | L195-L259 HydrophobicContact CD1-CB 4.16Å; L195-L259 HydrophobicContact CD1-CD1 4.05Å; L195-L259 HydrophobicContact CD2-CD1 3.67Å; A201-L259 HydrophobicContact CB-CD1 3.79Å; A201-L259 HydrophobicContact CB-CD2 3.86Å; A201-L259 HydrophobicContact CB-CG 4.49Å; L202-L259 HydrophobicContact CD2-CD1 4.21Å; L202-L259 HydrophobicContact CG-CD1 4.44Å; D256-L259 HydrophobicContact CB-CB 3.84Å; D256-L259 VanDerWaalsContact CG-CB 3.49Å; D256-L259 PolarHBondContact OD1-N 2.89Å; V257-L259 VanDerWaalsContact C-N 3.34Å; L259-I261 PolarHBondContact O-N 3.04Å; L259-S262 PolarHBondContact O-N 2.78Å; L259-M263 HydrophobicContact CD1-CG 3.79Å; L259-M263 HydrophobicContact CD1-SD 3.9Å; L259-M263 HydrophobicContact CD2-SD 4.39Å; L259-M263 HydrophobicContact CG-CG 4.21Å; L259-M263 HydrophobicContact CG-SD 3.89Å; L259-M263 WeakPolarHBondContact O-CB 3.38Å; L259-M263 WeakPolarHBondContact O-CG 3.11Å; L259-M263 PolarHBondContact O-N 3.42Å; L259-Q389 HydrophobicContact CD2-CB 3.82Å; L259-Q389 HydrophobicContact CD2-CG 3.87Å; L259-T392 HydrophobicContact CB-CG2 4.03Å; L259-T392 HydrophobicContact CD2-CG2 3.88Å; L259-T392 HydrophobicContact CG-CG2 3.7Å; L259-V393 HydrophobicContact CD2-CG2 4.4Å |
| 260 | A | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.9 | -50.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D256 V257 S262 M263 T264 T392 E396 | D256-A260 PolarHBondContact O-N 3.2Å; D256-A260 VanDerWaalsContact O-N 3.07Å; V257-A260 PolarHBondContact O-N 2.64Å; A260-S262 VanDerWaalsContact C-N 3.3Å; A260-S262 PolarHBondContact O-N 3.22Å; A260-M263 PolarHBondContact O-N 3.11Å; A260-T264 PolarHBondContact O-N 3.31Å; A260-T264 PolarHBondContact O-OG1 3.13Å; A260-T392 VanDerWaalsContact CA-CG2 3.46Å; A260-T392 HydrophobicContact CB-CG2 3.6Å; A260-E396 HydrophobicContact CB-CG 4.42Å |
| 261 | I | 92.6 | Very high | 92.5 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.2 | -44 | 176.9 | -69.8 | 166.9 | 0 | 0 | 0 | 111.1 | F183 V187 Y247 V257 L259 T264 L265 I310 | F183-I261 HydrophobicContact CB-CD1 4.34Å; V187-I261 HydrophobicContact CG2-CD1 3.57Å; V187-I261 HydrophobicContact CG2-CG2 4.48Å; Y247-I261 HydrophobicContact CD1-CG1 4.49Å; Y247-I261 HydrophobicContact CG-CG1 4.27Å; V257-I261 HydrophobicContact CG1-CD1 3.97Å; V257-I261 WeakPolarHBondContact O-CG1 3.16Å; V257-I261 PolarHBondContact O-N 3.17Å; L259-I261 PolarHBondContact O-N 3.04Å; I261-T264 PolarHBondContact O-N 2.91Å; I261-L265 HydrophobicContact CG2-CD1 4.06Å; I261-L265 WeakPolarHBondContact O-CG 3.44Å; I261-L265 PolarHBondContact O-N 2.83Å; I261-I310 HydrophobicContact CG1-CD1 4.28Å; I261-I310 HydrophobicContact CG2-CD1 3.67Å; I261-I310 HydrophobicContact CG2-CG2 3.94Å |
| 262 | S | 92.7 | Very high | 92.2 | Very high | 12 Ų | 12 | 22.5 Ų | 22.5 | 8% | 0.084 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 179.4 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | L192 T258 L259 A260 L265 V266 | L192-S262 WeakPolarHBondContact CD1-OG 3.39Å; T258-S262 WeakPolarHBondContact O-CB 3.39Å; T258-S262 PolarHBondContact O-N 3.31Å; T258-S262 PolarHBondContact O-OG 3.09Å; L259-S262 PolarHBondContact O-N 2.78Å; A260-S262 VanDerWaalsContact C-N 3.3Å; A260-S262 PolarHBondContact O-N 3.22Å; S262-L265 PolarHBondContact O-N 2.91Å; S262-V266 WeakPolarHBondContact O-CB 3.2Å; S262-V266 VanDerWaalsContact O-CG2 3.28Å; S262-V266 WeakPolarHBondContact O-CG2 3.23Å; S262-V266 PolarHBondContact O-N 3.17Å |
| 263 | M | 93.7 | Very high | 92.1 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 4% | 0.039 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -45.2 | 175.7 | -74.6 | -177.2 | 83.4 | 0 | 0 | 111.6 | L202 L259 A260 L265 V266 S267 T392 V393 E396 | L202-M263 HydrophobicContact CD2-CB 4.37Å; L202-M263 HydrophobicContact CD2-CG 3.63Å; L259-M263 HydrophobicContact CD1-CG 3.79Å; L259-M263 HydrophobicContact CD1-SD 3.9Å; L259-M263 HydrophobicContact CD2-SD 4.39Å; L259-M263 HydrophobicContact CG-CG 4.21Å; L259-M263 HydrophobicContact CG-SD 3.89Å; L259-M263 WeakPolarHBondContact O-CB 3.38Å; L259-M263 WeakPolarHBondContact O-CG 3.11Å; L259-M263 PolarHBondContact O-N 3.42Å; A260-M263 PolarHBondContact O-N 3.11Å; M263-L265 PolarHBondContact O-N 2.92Å; M263-V266 PolarHBondContact O-N 2.73Å; M263-S267 WeakPolarHBondContact O-CB 3.4Å; M263-S267 PolarHBondContact O-N 2.68Å; M263-S267 PolarHBondContact O-OG 3.31Å; M263-T392 HydrophobicContact SD-CG2 4.16Å; M263-V393 HydrophobicContact CE-CB 4.35Å; M263-V393 HydrophobicContact CE-CG1 4.3Å; M263-V393 HydrophobicContact CE-CG2 3.99Å; M263-V393 HydrophobicContact SD-CG2 3.91Å; M263-E396 HydrophobicContact CB-CB 4.39Å; M263-E396 HydrophobicContact CB-CG 3.95Å; M263-E396 HydrophobicContact CE-CB 4.15Å; M263-E396 HydrophobicContact SD-CB 4.24Å; M263-E396 HydrophobicContact SD-CG 4.19Å |
| 264 | T | 91.8 | Very high | 92 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -44.3 | 177.2 | -48.5 | 0 | 0 | 0 | 0 | 111.2 | A260 I261 S267 T268 I306 E396 | A260-T264 PolarHBondContact O-N 3.31Å; A260-T264 PolarHBondContact O-OG1 3.13Å; I261-T264 PolarHBondContact O-N 2.91Å; T264-S267 WeakPolarHBondContact CA-OG 3.49Å; T264-S267 PolarHBondContact O-OG 3.33Å; T264-T268 VanDerWaalsContact O-CB 3.32Å; T264-T268 WeakPolarHBondContact O-CB 3.33Å; T264-T268 PolarHBondContact O-N 3.3Å; T264-T268 PolarHBondContact O-OG1 3.44Å; T264-I306 HydrophobicContact CG2-CD1 4.01Å; T264-E396 PolarHBondContact N-OE2 3.15Å; T264-E396 VanDerWaalsContact OG1-CD 3.29Å; T264-E396 PolarHBondContact OG1-OE1 3Å; T264-E396 PolarHBondContact OG1-OE2 2.6Å |
| 265 | L | 91 | Very high | 91.8 | Very high | 44 Ų | 44 | 21.4 Ų | 21.4 | 23% | 0.23 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.2 | -49.4 | 178.7 | -73 | 172.6 | 0 | 0 | 0 | 112 | I261 S262 M263 T268 V269 L303 I306 A307 | I261-L265 HydrophobicContact CG2-CD1 4.06Å; I261-L265 WeakPolarHBondContact O-CG 3.44Å; I261-L265 PolarHBondContact O-N 2.83Å; S262-L265 PolarHBondContact O-N 2.91Å; M263-L265 PolarHBondContact O-N 2.92Å; L265-T268 PolarHBondContact O-N 2.91Å; L265-V269 WeakPolarHBondContact O-CG2 3.43Å; L265-V269 PolarHBondContact O-N 3.48Å; L265-V269 VanDerWaalsContact O-N 3.09Å; L265-L303 HydrophobicContact CD2-CD1 3.91Å; L265-I306 HydrophobicContact CD2-CB 4.37Å; L265-I306 HydrophobicContact CD2-CG2 3.78Å; L265-I306 HydrophobicContact CG-CG2 4.44Å; L265-A307 HydrophobicContact CD2-CB 3.97Å |
| 266 | V | 92.3 | Very high | 91.5 | Very high | 59 Ų | 59 | 22.5 Ų | 22.5 | 36% | 0.358 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 179.2 | 171 | 0 | 0 | 0 | 0 | 110.7 | L202 V206 S262 M263 T268 V269 V270 | L202-V266 HydrophobicContact CD2-CG2 4.39Å; V206-V266 HydrophobicContact CG2-CG1 4.13Å; S262-V266 WeakPolarHBondContact O-CB 3.2Å; S262-V266 VanDerWaalsContact O-CG2 3.28Å; S262-V266 WeakPolarHBondContact O-CG2 3.23Å; S262-V266 PolarHBondContact O-N 3.17Å; M263-V266 PolarHBondContact O-N 2.73Å; V266-T268 VanDerWaalsContact C-N 3.32Å; V266-T268 PolarHBondContact O-N 3.31Å; V266-V269 PolarHBondContact O-N 3.32Å; V266-V270 HydrophobicContact CG1-CG2 4.36Å; V266-V270 WeakPolarHBondContact O-CG2 3.44Å; V266-V270 PolarHBondContact O-N 2.77Å |
| 267 | S | 92.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -38.5 | 177.7 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | F210 G242 M263 T264 V269 V270 A271 | F210-S267 VanDerWaalsContact CZ-O 3.27Å; F210-S267 WeakPolarHBondContact CZ-O 3.42Å; G242-S267 PolarHBondContact N-OG 2.88Å; M263-S267 WeakPolarHBondContact O-CB 3.4Å; M263-S267 PolarHBondContact O-N 2.68Å; M263-S267 PolarHBondContact O-OG 3.31Å; T264-S267 WeakPolarHBondContact CA-OG 3.49Å; T264-S267 PolarHBondContact O-OG 3.33Å; S267-V269 VanDerWaalsContact C-N 3.32Å; S267-V269 PolarHBondContact O-N 3.45Å; S267-V270 PolarHBondContact O-N 3.33Å; S267-A271 WeakPolarHBondContact O-CB 3.23Å; S267-A271 PolarHBondContact O-N 2.96Å |
| 268 | T | 89.6 | Confident | 91.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.1 | -37.3 | 177 | -55 | 0 | 0 | 0 | 0 | 111.8 | T264 L265 V266 I299 L303 | T264-T268 VanDerWaalsContact O-CB 3.32Å; T264-T268 WeakPolarHBondContact O-CB 3.33Å; T264-T268 PolarHBondContact O-N 3.3Å; T264-T268 PolarHBondContact O-OG1 3.44Å; L265-T268 PolarHBondContact O-N 2.91Å; V266-T268 VanDerWaalsContact C-N 3.32Å; V266-T268 PolarHBondContact O-N 3.31Å; T268-I299 HydrophobicContact CG2-CG2 4.21Å; T268-I299 WeakPolarHBondContact O-CG2 3.46Å; T268-L303 HydrophobicContact CG2-CB 3.76Å; T268-L303 HydrophobicContact CG2-CD1 4.03Å; T268-L303 HydrophobicContact CG2-CG 4.46Å |
| 269 | V | 90.2 | Very high | 90.7 | Very high | 77 Ų | 77 | 26.4 Ų | 26.4 | 47% | 0.467 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.5 | -48.9 | 171.9 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | L265 V266 S267 A271 T272 L303 | L265-V269 WeakPolarHBondContact O-CG2 3.43Å; L265-V269 PolarHBondContact O-N 3.48Å; L265-V269 VanDerWaalsContact O-N 3.09Å; V266-V269 PolarHBondContact O-N 3.32Å; S267-V269 VanDerWaalsContact C-N 3.32Å; S267-V269 PolarHBondContact O-N 3.45Å; V269-A271 VanDerWaalsContact C-N 3.25Å; V269-A271 PolarHBondContact O-N 2.96Å; V269-T272 WeakPolarHBondContact O-CB 3.34Å; V269-T272 WeakPolarHBondContact O-CG2 3.27Å; V269-T272 PolarHBondContact O-N 3.15Å; V269-T272 PolarHBondContact O-OG1 3.39Å; V269-L303 HydrophobicContact CG2-CD1 4.01Å; V269-L303 HydrophobicContact CG2-CD2 3.72Å |
| 270 | V | 92.6 | Very high | 90.3 | Very high | 49 Ų | 49 | 28.9 Ų | 28.9 | 30% | 0.297 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61 | -34.7 | 179.5 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | V206 F210 V266 S267 T272 A273 A274 | V206-V270 HydrophobicContact CG1-CG1 4.21Å; V206-V270 HydrophobicContact CG2-CG2 4.46Å; F210-V270 HydrophobicContact CD2-CB 4.45Å; F210-V270 HydrophobicContact CD2-CG1 3.7Å; F210-V270 HydrophobicContact CE2-CB 3.94Å; F210-V270 HydrophobicContact CE2-CG1 3.67Å; F210-V270 HydrophobicContact CG-CG1 4.24Å; F210-V270 HydrophobicContact CZ-CB 4.31Å; F210-V270 HydrophobicContact CZ-CG1 4.19Å; V266-V270 HydrophobicContact CG1-CG2 4.36Å; V266-V270 WeakPolarHBondContact O-CG2 3.44Å; V266-V270 PolarHBondContact O-N 2.77Å; S267-V270 PolarHBondContact O-N 3.33Å; V270-T272 PolarHBondContact O-N 2.86Å; V270-T272 VanDerWaalsContact O-N 3.13Å; V270-A273 PolarHBondContact O-N 3.47Å; V270-A274 HydrophobicContact CG1-CB 4.06Å; V270-A274 WeakPolarHBondContact O-CB 3.4Å; V270-A274 PolarHBondContact O-N 3.28Å |
| 271 | A | 90.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.2 | -27.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F210 P241 S267 V269 A273 M275 | F210-A271 HydrophobicContact CE1-CB 3.97Å; F210-A271 HydrophobicContact CZ-CB 4.02Å; P241-A271 HydrophobicContact CB-CB 3.99Å; P241-A271 HydrophobicContact CG-CB 3.85Å; S267-A271 WeakPolarHBondContact O-CB 3.23Å; S267-A271 PolarHBondContact O-N 2.96Å; V269-A271 VanDerWaalsContact C-N 3.25Å; V269-A271 PolarHBondContact O-N 2.96Å; A271-A273 PolarHBondContact O-N 3.2Å; A271-M275 HydrophobicContact CB-CG 4.13Å; A271-M275 HydrophobicContact CB-SD 4.12Å; A271-M275 WeakPolarHBondContact O-CB 3.26Å; A271-M275 WeakPolarHBondContact O-CG 3.45Å; A271-M275 PolarHBondContact O-N 3.31Å |
| 272 | T | 85.8 | Confident | 89.9 | Confident | 51 Ų | 51 | 34 Ų | 34 | 31% | 0.313 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -56.4 | -36.2 | 174.9 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | V269 V270 P276 F296 I299 | V269-T272 WeakPolarHBondContact O-CB 3.34Å; V269-T272 WeakPolarHBondContact O-CG2 3.27Å; V269-T272 PolarHBondContact O-N 3.15Å; V269-T272 PolarHBondContact O-OG1 3.39Å; V270-T272 PolarHBondContact O-N 2.86Å; V270-T272 VanDerWaalsContact O-N 3.13Å; T272-P276 VanDerWaalsContact O-CD 3.28Å; T272-P276 WeakPolarHBondContact O-CD 3.41Å; T272-P276 VanDerWaalsContact O-CG 3.27Å; T272-P276 WeakPolarHBondContact O-CG 3.29Å; T272-F296 WeakPolarHBondContact O-CE1 3.39Å; T272-I299 HydrophobicContact CG2-CB 4.32Å; T272-I299 HydrophobicContact CG2-CG2 3.58Å |
| 273 | A | 88.1 | Confident | 89.6 | Confident | 66 Ų | 66 | 33.6 Ų | 33.6 | 55% | 0.545 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -99.5 | -38.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V270 A271 P276 L277 | V270-A273 PolarHBondContact O-N 3.47Å; A271-A273 PolarHBondContact O-N 3.2Å; A273-P276 WeakPolarHBondContact O-CD 3.19Å; A273-L277 VanDerWaalsContact O-CB 3.28Å; A273-L277 WeakPolarHBondContact O-CB 3.46Å; A273-L277 PolarHBondContact O-N 3.42Å |
| 274 | A | 91.2 | Very high | 89.1 | Confident | 13 Ų | 13 | 41.5 Ų | 41.5 | 11% | 0.107 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.7 | -38.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F210 V270 L277 S278 | F210-A274 HydrophobicContact CB-CB 4.07Å; F210-A274 HydrophobicContact CD1-CB 3.32Å; F210-A274 HydrophobicContact CE1-CB 3.84Å; F210-A274 HydrophobicContact CG-CB 3.75Å; V270-A274 HydrophobicContact CG1-CB 4.06Å; V270-A274 WeakPolarHBondContact O-CB 3.4Å; V270-A274 PolarHBondContact O-N 3.28Å; A274-L277 PolarHBondContact O-N 3.47Å; A274-S278 WeakPolarHBondContact O-CB 3.47Å; A274-S278 PolarHBondContact O-N 2.87Å; A274-S278 PolarHBondContact O-OG 2.93Å |
| 275 | M | 89.4 | Confident | 88.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.5 | -47.5 | 179.3 | -69.7 | -177.4 | 77.1 | 0 | 0 | 112.9 | I236 S239 A271 L277 S278 S279 V294 I299 L404 V408 | I236-M275 HydrophobicContact CG2-CE 3.63Å; S239-M275 WeakPolarHBondContact O-CG 3.22Å; A271-M275 HydrophobicContact CB-CG 4.13Å; A271-M275 HydrophobicContact CB-SD 4.12Å; A271-M275 WeakPolarHBondContact O-CB 3.26Å; A271-M275 WeakPolarHBondContact O-CG 3.45Å; A271-M275 PolarHBondContact O-N 3.31Å; M275-L277 VanDerWaalsContact C-N 3.32Å; M275-L277 PolarHBondContact O-N 2.96Å; M275-S278 PolarHBondContact O-N 3.47Å; M275-S279 WeakPolarHBondContact O-CB 3.48Å; M275-S279 PolarHBondContact O-N 2.97Å; M275-V294 HydrophobicContact CB-CG1 4.2Å; M275-I299 HydrophobicContact SD-CD1 4.24Å; M275-L404 HydrophobicContact CE-CG 4.46Å; M275-L404 HydrophobicContact SD-CD2 3.89Å; M275-L404 HydrophobicContact SD-CG 4.37Å; M275-V408 HydrophobicContact CE-CG2 3.86Å |
| 276 | P | 86.3 | Confident | 88.5 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62 | -39.4 | 173.8 | -19.8 | 28.9 | 0 | 0 | 0 | 112.7 | T272 A273 S279 A280 V294 F296 | T272-P276 VanDerWaalsContact O-CD 3.28Å; T272-P276 WeakPolarHBondContact O-CD 3.41Å; T272-P276 VanDerWaalsContact O-CG 3.27Å; T272-P276 WeakPolarHBondContact O-CG 3.29Å; A273-P276 WeakPolarHBondContact O-CD 3.19Å; P276-S279 WeakPolarHBondContact O-CB 3.28Å; P276-S279 PolarHBondContact O-N 2.89Å; P276-A280 WeakPolarHBondContact O-CB 3.34Å; P276-A280 PolarHBondContact O-N 3.21Å; P276-V294 HydrophobicContact CB-CB 4.5Å; P276-V294 HydrophobicContact CB-CG2 4.11Å; P276-V294 HydrophobicContact CG-CB 3.86Å; P276-V294 HydrophobicContact CG-CG1 3.98Å; P276-V294 HydrophobicContact CG-CG2 3.87Å; P276-F296 HydrophobicContact CG-CE1 4.28Å; P276-F296 HydrophobicContact CG-CZ 3.93Å |
| 277 | L | 89.2 | Confident | 87.8 | Confident | 122 Ų | 122 | 44 Ų | 44 | 64% | 0.639 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64 | -47.3 | 178.9 | -176.3 | 67.3 | 0 | 0 | 0 | 111.5 | A273 A274 M275 S279 A280 L281 | A273-L277 VanDerWaalsContact O-CB 3.28Å; A273-L277 WeakPolarHBondContact O-CB 3.46Å; A273-L277 PolarHBondContact O-N 3.42Å; A274-L277 PolarHBondContact O-N 3.47Å; M275-L277 VanDerWaalsContact C-N 3.32Å; M275-L277 PolarHBondContact O-N 2.96Å; L277-S279 VanDerWaalsContact C-N 3.32Å; L277-S279 PolarHBondContact O-N 3.34Å; L277-A280 PolarHBondContact O-N 3.19Å; L277-L281 VanDerWaalsContact O-CB 3.32Å; L277-L281 WeakPolarHBondContact O-CB 3.24Å; L277-L281 PolarHBondContact O-N 3.25Å |
| 278 | S | 90.6 | Very high | 86.8 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 173.8 | -72.2 | 0 | 0 | 0 | 0 | 111.3 | S239 A274 M275 A280 L281 Y282 | S239-S278 WeakPolarHBondContact OG-CB 3.22Å; S239-S278 PolarHBondContact OG-OG 3.33Å; A274-S278 WeakPolarHBondContact O-CB 3.47Å; A274-S278 PolarHBondContact O-N 2.87Å; A274-S278 PolarHBondContact O-OG 2.93Å; M275-S278 PolarHBondContact O-N 3.47Å; S278-A280 PolarHBondContact O-N 3.24Å; S278-L281 PolarHBondContact O-N 2.86Å; S278-Y282 WeakPolarHBondContact O-CB 3.37Å; S278-Y282 VanDerWaalsContact O-CD2 3.23Å; S278-Y282 WeakPolarHBondContact O-CD2 3.37Å; S278-Y282 PolarHBondContact O-N 3.16Å |
| 279 | S | 85.7 | Confident | 85.2 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.014 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.2 | -50.8 | 175.6 | 176.1 | 0 | 0 | 0 | 0 | 112 | M275 P276 L277 G283 L292 | M275-S279 WeakPolarHBondContact O-CB 3.48Å; M275-S279 PolarHBondContact O-N 2.97Å; P276-S279 WeakPolarHBondContact O-CB 3.28Å; P276-S279 PolarHBondContact O-N 2.89Å; L277-S279 VanDerWaalsContact C-N 3.32Å; L277-S279 PolarHBondContact O-N 3.34Å; S279-G283 VanDerWaalsContact O-CA 3.28Å; S279-G283 WeakPolarHBondContact O-CA 3.41Å; S279-G283 PolarHBondContact O-N 2.87Å; S279-L292 VanDerWaalsContact OG-CB 3.26Å; S279-L292 WeakPolarHBondContact OG-CB 3.17Å; S279-L292 VanDerWaalsContact OG-CD1 3.24Å; S279-L292 WeakPolarHBondContact OG-CD1 3.07Å; S279-L292 PolarHBondContact OG-N 3.31Å; S279-L292 VanDerWaalsContact OG-N 3.17Å |
| 280 | A | 85.5 | Confident | 83.4 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 43% | 0.43 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.9 | -44.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | P276 L277 S278 K284 | P276-A280 WeakPolarHBondContact O-CB 3.34Å; P276-A280 PolarHBondContact O-N 3.21Å; L277-A280 PolarHBondContact O-N 3.19Å; S278-A280 PolarHBondContact O-N 3.24Å; A280-K284 WeakPolarHBondContact O-CB 3.38Å; A280-K284 PolarHBondContact O-N 3.36Å |
| 281 | L | 89.9 | Confident | 81.7 | Confident | 95 Ų | 95 | 55.7 Ų | 55.7 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.2 | -57 | -178.9 | 177.7 | 63.1 | 0 | 0 | 0 | 111.5 | L277 S278 K284 L285 | L277-L281 VanDerWaalsContact O-CB 3.32Å; L277-L281 WeakPolarHBondContact O-CB 3.24Å; L277-L281 PolarHBondContact O-N 3.25Å; S278-L281 PolarHBondContact O-N 2.86Å; L281-K284 PolarHBondContact O-N 3.38Å; L281-L285 HydrophobicContact CD1-CD1 4.39Å; L281-L285 HydrophobicContact CG-CD1 4.3Å; L281-L285 WeakPolarHBondContact O-CG 3.38Å; L281-L285 PolarHBondContact O-N 3.21Å; L281-L285 VanDerWaalsContact O-N 3.11Å |
| 282 | Y | 89.5 | Confident | 80.5 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 7% | 0.071 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -76.3 | -28 | -175.5 | -66.7 | -70.4 | 0 | 0 | 0 | 112.2 | P214 L215 Y218 V235 S278 L285 L286 | P214-Y282 HydrophobicContact CB-CD2 4.33Å; P214-Y282 HydrophobicContact CB-CE2 3.58Å; L215-Y282 VanDerWaalsContact CA-OH 3.32Å; L215-Y282 WeakPolarHBondContact CA-OH 3.1Å; L215-Y282 PolarHBondContact N-OH 3.27Å; Y218-Y282 VanDerWaalsContact CB-CD1 3.49Å; Y218-Y282 HydrophobicContact CD1-CD1 4.31Å; Y218-Y282 HydrophobicContact CD1-CE1 4.22Å; Y218-Y282 AromaticContact CD2-CD1 3.68Å; Y218-Y282 HydrophobicContact CD2-CD1 3.68Å; Y218-Y282 HydrophobicContact CD2-CE1 4.37Å; Y218-Y282 AromaticContact CG-CD1 3.56Å; Y218-Y282 HydrophobicContact CG-CD1 3.56Å; Y218-Y282 AromaticContact CG-CE1 3.79Å; Y218-Y282 HydrophobicContact CG-CE1 3.79Å; V235-Y282 HydrophobicContact CG1-CD2 3.57Å; V235-Y282 HydrophobicContact CG1-CE2 4.4Å; V235-Y282 HydrophobicContact CG1-CG 3.85Å; V235-Y282 HydrophobicContact CG2-CG 4.49Å; S278-Y282 WeakPolarHBondContact O-CB 3.37Å; S278-Y282 VanDerWaalsContact O-CD2 3.23Å; S278-Y282 WeakPolarHBondContact O-CD2 3.37Å; S278-Y282 PolarHBondContact O-N 3.16Å; Y282-L285 HydrophobicContact CD1-CD1 3.91Å; Y282-L285 HydrophobicContact CE1-CD1 4.28Å; Y282-L285 PolarHBondContact O-N 2.63Å; Y282-L286 VanDerWaalsContact O-CB 3.31Å; Y282-L286 WeakPolarHBondContact O-CB 3.43Å; Y282-L286 WeakPolarHBondContact O-CD1 3.48Å; Y282-L286 WeakPolarHBondContact O-CG 3.4Å; Y282-L286 PolarHBondContact O-N 3.18Å |
| 283 | G | 85.2 | Confident | 79.3 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.7 | -49.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S279 L285 L286 G287 V288 | S279-G283 VanDerWaalsContact O-CA 3.28Å; S279-G283 WeakPolarHBondContact O-CA 3.41Å; S279-G283 PolarHBondContact O-N 2.87Å; G283-L285 PolarHBondContact O-N 3Å; G283-L286 CarbonylContact O-C 3.54Å; G283-L286 PolarHBondContact O-N 3.16Å; G283-L286 VanDerWaalsContact O-N 3.15Å; G283-G287 PolarHBondContact O-N 3.25Å; G283-G287 VanDerWaalsContact O-N 3.13Å; G283-V288 CarbonylContact C-O 3.33Å; G283-V288 VanDerWaalsContact C-O 3.28Å; G283-V288 PolarHBondContact O-N 2.82Å |
| 284 | K | 84.5 | Confident | 78.1 | Confident | 174 Ų | 174 | 56.7 Ų | 56.7 | 76% | 0.757 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.2 | -44.5 | 174.9 | -172.2 | 178.7 | -178.5 | 180 | 0 | 112.2 | A280 L281 L286 G287 | A280-K284 WeakPolarHBondContact O-CB 3.38Å; A280-K284 PolarHBondContact O-N 3.36Å; L281-K284 PolarHBondContact O-N 3.38Å; K284-L286 PolarHBondContact O-N 2.89Å; K284-G287 PolarHBondContact O-N 3.28Å; K284-G287 VanDerWaalsContact O-N 3.11Å |
| 285 | L | 86.9 | Confident | 76.8 | Confident | 86 Ų | 86 | 56.5 Ų | 56.5 | 45% | 0.45 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.8 | -23.6 | 178.4 | -69.7 | 172.7 | 0 | 0 | 0 | 113.6 | Y218 L281 Y282 G283 | Y218-L285 HydrophobicContact CD2-CB 4.45Å; Y218-L285 HydrophobicContact CE2-CB 3.62Å; Y218-L285 HydrophobicContact CE2-CD1 4.4Å; L281-L285 HydrophobicContact CD1-CD1 4.39Å; L281-L285 HydrophobicContact CG-CD1 4.3Å; L281-L285 WeakPolarHBondContact O-CG 3.38Å; L281-L285 PolarHBondContact O-N 3.21Å; L281-L285 VanDerWaalsContact O-N 3.11Å; Y282-L285 HydrophobicContact CD1-CD1 3.91Å; Y282-L285 HydrophobicContact CE1-CD1 4.28Å; Y282-L285 PolarHBondContact O-N 2.63Å; G283-L285 PolarHBondContact O-N 3Å |
| 286 | L | 83.6 | Confident | 75.7 | Confident | 22 Ų | 22 | 62.3 Ų | 62.3 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 0.1 | 175.9 | -67.9 | 168.4 | 0 | 0 | 0 | 112.8 | Y218 T228 L232 Y282 G283 K284 | Y218-L286 HydrophobicContact CD2-CD2 3.98Å; Y218-L286 HydrophobicContact CD2-CG 4.1Å; Y218-L286 HydrophobicContact CE2-CD2 3.82Å; Y218-L286 HydrophobicContact CE2-CG 4.02Å; T228-L286 HydrophobicContact CG2-CB 4.29Å; L232-L286 HydrophobicContact CD2-CD1 4.05Å; L232-L286 HydrophobicContact CG-CD1 4.23Å; Y282-L286 VanDerWaalsContact O-CB 3.31Å; Y282-L286 WeakPolarHBondContact O-CB 3.43Å; Y282-L286 WeakPolarHBondContact O-CD1 3.48Å; Y282-L286 WeakPolarHBondContact O-CG 3.4Å; Y282-L286 PolarHBondContact O-N 3.18Å; G283-L286 CarbonylContact O-C 3.54Å; G283-L286 PolarHBondContact O-N 3.16Å; G283-L286 VanDerWaalsContact O-N 3.15Å; K284-L286 PolarHBondContact O-N 2.89Å |
| 287 | G | 77.6 | Confident | 74.9 | Confident | 49 Ų | 49 | 66.7 Ų | 66.7 | 51% | 0.505 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 12.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G283 K284 H289 | G283-G287 PolarHBondContact O-N 3.25Å; G283-G287 VanDerWaalsContact O-N 3.13Å; K284-G287 PolarHBondContact O-N 3.28Å; K284-G287 VanDerWaalsContact O-N 3.11Å; G287-H289 PolarHBondContact O-ND1 3.06Å |
| 288 | V | 71.1 | Confident | 73.8 | Confident | 36 Ų | 36 | 63 Ų | 63 | 22% | 0.218 | 36% | 0.355 | C | S | . | . | trans | -93.3 | 121.1 | 176 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | T228 L232 G283 A290 | T228-V288 HydrophobicContact CG2-CG2 3.06Å; L232-V288 HydrophobicContact CD1-CB 4.25Å; L232-V288 HydrophobicContact CD1-CG1 4.17Å; L232-V288 HydrophobicContact CD1-CG2 3.86Å; G283-V288 CarbonylContact C-O 3.33Å; G283-V288 VanDerWaalsContact C-O 3.28Å; G283-V288 PolarHBondContact O-N 2.82Å; V288-A290 HydrophobicContact CG1-CB 4.28Å | ||
| 289 | H | 56.1 | Low | 72.8 | Confident | 191 Ų | 191 | 62.7 Ų | 62.7 | 88% | 0.884 | 35% | 0.352 | S | S | * | . | trans | -89.5 | -10.7 | -177 | -64.4 | 67.7 | 0 | 0 | 0 | 112.7 | G287 | G287-H289 PolarHBondContact O-ND1 3.06Š| ||
| 290 | A | 53.2 | Low | 72.2 | Confident | 68 Ų | 68 | 67.1 Ų | 67.1 | 56% | 0.562 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -88.4 | 124.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | V288 | V288-A290 HydrophobicContact CG1-CB 4.28Š|
| 291 | A | 57.2 | Low | 71.6 | Confident | 78 Ų | 78 | 66.3 Ų | 66.3 | 65% | 0.645 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 130.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 292 | L | 64.9 | Low | 70.7 | Confident | 17 Ų | 17 | 63.4 Ų | 63.4 | 9% | 0.089 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 139.2 | 176.9 | -69.1 | 143.9 | 0 | 0 | 0 | 109.4 | L232 I236 S279 V294 M409 S412 F413 | L232-L292 HydrophobicContact CB-CD1 4.32Å; L232-L292 HydrophobicContact CD1-CD1 4.33Å; L232-L292 HydrophobicContact CD2-CD1 3.96Å; L232-L292 HydrophobicContact CG-CD1 4.45Å; I236-L292 HydrophobicContact CD1-CD1 3.89Å; I236-L292 HydrophobicContact CG1-CD1 3.72Å; S279-L292 VanDerWaalsContact OG-CB 3.26Å; S279-L292 WeakPolarHBondContact OG-CB 3.17Å; S279-L292 VanDerWaalsContact OG-CD1 3.24Å; S279-L292 WeakPolarHBondContact OG-CD1 3.07Å; S279-L292 PolarHBondContact OG-N 3.31Å; S279-L292 VanDerWaalsContact OG-N 3.17Å; L292-V294 PolarHBondContact O-N 3.28Å; L292-M409 HydrophobicContact CD1-CE 4.14Å; L292-M409 HydrophobicContact CD2-CE 3.82Å; L292-S412 VanDerWaalsContact CD2-CB 3.42Å; L292-F413 HydrophobicContact CD2-CD2 4.07Å; L292-F413 HydrophobicContact CD2-CE1 4.46Å; L292-F413 HydrophobicContact CD2-CE2 3.33Å; L292-F413 HydrophobicContact CD2-CZ 3.57Å |
| 293 | H | 60.4 | Low | 70.2 | Confident | 117 Ų | 117 | 64 Ų | 64 | 54% | 0.542 | 36% | 0.363 | S | S | . | . | trans | -74.3 | 94.6 | 176.5 | -168.4 | 83.3 | 0 | 0 | 0 | 109.6 | P295 S412 | H293-P295 VanDerWaalsContact O-CD 3.32Å; H293-P295 WeakPolarHBondContact O-CD 3.4Å; H293-S412 PolarHBondContact N-OG 3.42Å; H293-S412 VanDerWaalsContact N-OG 3.11Å; H293-S412 PolarHBondContact O-OG 2.93Å; H293-S412 VanDerWaalsContact O-OG 3.07Å | ||
| 294 | V | 61.7 | Low | 70.1 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.024 | 38% | 0.382 | C | S | . | . | trans | -75.6 | 119.2 | 176.9 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | M275 P276 L292 F296 I299 V408 | M275-V294 HydrophobicContact CB-CG1 4.2Å; P276-V294 HydrophobicContact CB-CB 4.5Å; P276-V294 HydrophobicContact CB-CG2 4.11Å; P276-V294 HydrophobicContact CG-CB 3.86Å; P276-V294 HydrophobicContact CG-CG1 3.98Å; P276-V294 HydrophobicContact CG-CG2 3.87Å; L292-V294 PolarHBondContact O-N 3.28Å; V294-F296 WeakPolarHBondContact O-CD2 3.42Å; V294-F296 PolarHBondContact O-N 3.36Å; V294-I299 HydrophobicContact CG1-CD1 3.6Å; V294-V408 HydrophobicContact CG2-CG1 4.5Å | ||
| 295 | P | 63.5 | Low | 69.9 | Low | 9 Ų | 9 | 63.1 Ų | 63.1 | 6% | 0.058 | 36% | 0.361 | C | S | . | . | trans | -78.5 | 86.8 | -174.6 | 32.2 | -35.7 | 0 | 0 | 0 | 111.2 | H293 V297 K298 I299 V408 L411 | H293-P295 VanDerWaalsContact O-CD 3.32Å; H293-P295 WeakPolarHBondContact O-CD 3.4Å; P295-V297 PolarHBondContact O-N 3.34Å; P295-K298 HydrophobicContact CB-CB 3.88Å; P295-K298 HydrophobicContact CB-CD 3.88Å; P295-K298 HydrophobicContact CB-CG 3.87Å; P295-K298 HydrophobicContact CG-CB 3.92Å; P295-K298 HydrophobicContact CG-CD 3.8Å; P295-K298 HydrophobicContact CG-CG 4.18Å; P295-K298 WeakPolarHBondContact O-CA 3.48Å; P295-K298 WeakPolarHBondContact O-CB 3.45Å; P295-K298 PolarHBondContact O-N 2.89Å; P295-I299 PolarHBondContact O-N 2.86Å; P295-V408 HydrophobicContact CG-CG2 4.01Å; P295-L411 HydrophobicContact CB-CD1 3.57Å; P295-L411 HydrophobicContact CG-CD1 3.94Å | ||
| 296 | F | 67.4 | Low | 69.6 | Low | 121 Ų | 121 | 59.3 Ų | 59.3 | 53% | 0.531 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -51.4 | -41.2 | 177.8 | -70.3 | -83.1 | 0 | 0 | 0 | 112.8 | T272 P276 V294 K298 I299 L300 | T272-F296 WeakPolarHBondContact O-CE1 3.39Å; P276-F296 HydrophobicContact CG-CE1 4.28Å; P276-F296 HydrophobicContact CG-CZ 3.93Å; V294-F296 WeakPolarHBondContact O-CD2 3.42Å; V294-F296 PolarHBondContact O-N 3.36Å; F296-K298 VanDerWaalsContact C-N 3.29Å; F296-K298 PolarHBondContact O-N 2.86Å; F296-I299 PolarHBondContact O-N 3.15Å; F296-L300 WeakPolarHBondContact O-CB 3.41Å; F296-L300 PolarHBondContact O-N 3.45Å |
| 297 | V | 68.6 | Low | 69.7 | Low | 127 Ų | 127 | 59.4 Ų | 59.4 | 77% | 0.77 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.6 | -38 | 176.7 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | P295 G301 | P295-V297 PolarHBondContact O-N 3.34Å; V297-G301 PolarHBondContact O-N 3.12Å |
| 298 | K | 66.9 | Low | 70.3 | Confident | 46 Ų | 46 | 61.5 Ų | 61.5 | 20% | 0.2 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.1 | -39.5 | 176.5 | -71.4 | -173.2 | 175 | 175 | 0 | 111.8 | P295 F296 L300 G301 T302 L404 A407 L411 | P295-K298 HydrophobicContact CB-CB 3.88Å; P295-K298 HydrophobicContact CB-CD 3.88Å; P295-K298 HydrophobicContact CB-CG 3.87Å; P295-K298 HydrophobicContact CG-CB 3.92Å; P295-K298 HydrophobicContact CG-CD 3.8Å; P295-K298 HydrophobicContact CG-CG 4.18Å; P295-K298 WeakPolarHBondContact O-CA 3.48Å; P295-K298 WeakPolarHBondContact O-CB 3.45Å; P295-K298 PolarHBondContact O-N 2.89Å; F296-K298 VanDerWaalsContact C-N 3.29Å; F296-K298 PolarHBondContact O-N 2.86Å; K298-L300 VanDerWaalsContact C-N 3.34Å; K298-G301 CarbonylContact O-C 3.48Å; K298-G301 PolarHBondContact O-N 3.39Å; K298-T302 WeakPolarHBondContact O-CG2 3.17Å; K298-T302 PolarHBondContact O-N 2.9Å; K298-T302 PolarHBondContact O-OG1 3.26Å; K298-L404 HydrophobicContact CB-CD1 4.38Å; K298-A407 HydrophobicContact CD-CB 3.88Å; K298-A407 PolarHBondContact NZ-O 2.93Å; K298-L411 HydrophobicContact CD-CD1 3.87Å; K298-L411 VanDerWaalsContact CE-CD1 3.43Å |
| 299 | I | 70.6 | Confident | 71.2 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 175.4 | -59.4 | 177 | 0 | 0 | 0 | 109.5 | T268 T272 M275 V294 P295 F296 G301 T302 L303 L404 | T268-I299 HydrophobicContact CG2-CG2 4.21Å; T268-I299 WeakPolarHBondContact O-CG2 3.46Å; T272-I299 HydrophobicContact CG2-CB 4.32Å; T272-I299 HydrophobicContact CG2-CG2 3.58Å; M275-I299 HydrophobicContact SD-CD1 4.24Å; V294-I299 HydrophobicContact CG1-CD1 3.6Å; P295-I299 PolarHBondContact O-N 2.86Å; F296-I299 PolarHBondContact O-N 3.15Å; I299-G301 VanDerWaalsContact C-N 3.33Å; I299-G301 PolarHBondContact O-N 2.95Å; I299-T302 PolarHBondContact O-N 3.29Å; I299-T302 PolarHBondContact O-OG1 2.94Å; I299-L303 PolarHBondContact O-N 3.48Å; I299-L404 HydrophobicContact CG1-CD1 4Å; I299-L404 HydrophobicContact CG1-CD2 4.11Å |
| 300 | L | 71.7 | Confident | 72.8 | Confident | 96 Ų | 96 | 51 Ų | 51 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 175.2 | -174.9 | 60.9 | 0 | 0 | 0 | 111.7 | F296 K298 T302 L303 L304 | F296-L300 WeakPolarHBondContact O-CB 3.41Å; F296-L300 PolarHBondContact O-N 3.45Å; K298-L300 VanDerWaalsContact C-N 3.34Å; L300-T302 PolarHBondContact O-N 3.08Å; L300-L303 HydrophobicContact CD1-CD2 4.38Å; L300-L303 WeakPolarHBondContact O-CB 3.45Å; L300-L303 PolarHBondContact O-N 3.19Å; L300-L304 HydrophobicContact CD1-CG 4.4Å; L300-L304 HydrophobicContact CG-CD1 4.16Å; L300-L304 HydrophobicContact CG-CG 4.46Å; L300-L304 WeakPolarHBondContact O-CB 3.36Å; L300-L304 VanDerWaalsContact O-CG 3.3Å; L300-L304 WeakPolarHBondContact O-CG 3.34Å; L300-L304 PolarHBondContact O-N 3.17Å |
| 301 | G | 73.3 | Confident | 74.6 | Confident | 34 Ų | 34 | 51 Ų | 51 | 35% | 0.351 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.4 | -45.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V297 K298 I299 L304 F305 | V297-G301 PolarHBondContact O-N 3.12Å; K298-G301 CarbonylContact O-C 3.48Å; K298-G301 PolarHBondContact O-N 3.39Å; I299-G301 VanDerWaalsContact C-N 3.33Å; I299-G301 PolarHBondContact O-N 2.95Å; G301-L304 PolarHBondContact O-N 3.07Å; G301-F305 WeakPolarHBondContact O-CB 3.24Å; G301-F305 PolarHBondContact O-N 3.14Å |
| 302 | T | 71.1 | Confident | 76.3 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 175.5 | 58.2 | 0 | 0 | 0 | 0 | 112 | K298 I299 L300 F305 I306 L404 | K298-T302 WeakPolarHBondContact O-CG2 3.17Å; K298-T302 PolarHBondContact O-N 2.9Å; K298-T302 PolarHBondContact O-OG1 3.26Å; I299-T302 PolarHBondContact O-N 3.29Å; I299-T302 PolarHBondContact O-OG1 2.94Å; L300-T302 PolarHBondContact O-N 3.08Å; T302-F305 PolarHBondContact O-N 3.36Å; T302-I306 VanDerWaalsContact O-CG1 3.26Å; T302-I306 WeakPolarHBondContact O-CG1 3.46Å; T302-I306 PolarHBondContact O-N 3.34Å; T302-L404 HydrophobicContact CG2-CD1 4.44Å |
| 303 | L | 79.5 | Confident | 77.7 | Confident | 31 Ų | 31 | 50 Ų | 50 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -50.3 | 175.9 | -178.7 | 64.5 | 0 | 0 | 0 | 110.7 | L265 T268 V269 I299 L300 F305 I306 A307 | L265-L303 HydrophobicContact CD2-CD1 3.91Å; T268-L303 HydrophobicContact CG2-CB 3.76Å; T268-L303 HydrophobicContact CG2-CD1 4.03Å; T268-L303 HydrophobicContact CG2-CG 4.46Å; V269-L303 HydrophobicContact CG2-CD1 4.01Å; V269-L303 HydrophobicContact CG2-CD2 3.72Å; I299-L303 PolarHBondContact O-N 3.48Å; L300-L303 HydrophobicContact CD1-CD2 4.38Å; L300-L303 WeakPolarHBondContact O-CB 3.45Å; L300-L303 PolarHBondContact O-N 3.19Å; L303-F305 PolarHBondContact O-N 2.94Å; L303-I306 PolarHBondContact O-N 2.84Å; L303-A307 WeakPolarHBondContact O-CB 3.39Å; L303-A307 PolarHBondContact O-N 3.31Å |
| 304 | L | 82.1 | Confident | 79.2 | Confident | 83 Ų | 83 | 46.6 Ų | 46.6 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 178.4 | -69.7 | 174.9 | 0 | 0 | 0 | 111.5 | L300 G301 I306 A307 I308 | L300-L304 HydrophobicContact CD1-CG 4.4Å; L300-L304 HydrophobicContact CG-CD1 4.16Å; L300-L304 HydrophobicContact CG-CG 4.46Å; L300-L304 WeakPolarHBondContact O-CB 3.36Å; L300-L304 VanDerWaalsContact O-CG 3.3Å; L300-L304 WeakPolarHBondContact O-CG 3.34Å; L300-L304 PolarHBondContact O-N 3.17Å; G301-L304 PolarHBondContact O-N 3.07Å; L304-I306 PolarHBondContact O-N 2.8Å; L304-A307 PolarHBondContact O-N 3.29Å; L304-I308 HydrophobicContact CB-CD1 4.05Å; L304-I308 HydrophobicContact CD2-CD1 4.45Å; L304-I308 VanDerWaalsContact O-CB 3.28Å; L304-I308 WeakPolarHBondContact O-CB 3.24Å; L304-I308 VanDerWaalsContact O-CG1 3.24Å; L304-I308 WeakPolarHBondContact O-CG1 3.34Å; L304-I308 PolarHBondContact O-N 3.1Å |
| 305 | F | 80.8 | Confident | 80.7 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.2 | -24 | 177.6 | -173.5 | -105.3 | 0 | 0 | 0 | 113.2 | L173 I176 K180 G301 T302 L303 P309 | L173-F305 HydrophobicContact CG-CE2 4.44Å; L173-F305 HydrophobicContact CG-CZ 4.49Å; I176-F305 HydrophobicContact CB-CE1 4.49Å; I176-F305 HydrophobicContact CB-CZ 4.18Å; I176-F305 HydrophobicContact CG2-CE1 3.56Å; I176-F305 HydrophobicContact CG2-CZ 3.69Å; K180-F305 HydrophobicContact CD-CE1 4.38Å; K180-F305 WeakPolarHBondContact CD-O 3.36Å; G301-F305 WeakPolarHBondContact O-CB 3.24Å; G301-F305 PolarHBondContact O-N 3.14Å; T302-F305 PolarHBondContact O-N 3.36Å; L303-F305 PolarHBondContact O-N 2.94Å; F305-P309 VanDerWaalsContact O-CD 3.25Å; F305-P309 WeakPolarHBondContact O-CD 3.43Å; F305-P309 WeakPolarHBondContact O-CG 3.49Å |
| 306 | I | 80.8 | Confident | 82.2 | Confident | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -86.9 | -50.8 | 171.4 | -64.3 | 167.6 | 0 | 0 | 0 | 110.5 | T264 L265 T302 L303 L304 P309 I310 | T264-I306 HydrophobicContact CG2-CD1 4.01Å; L265-I306 HydrophobicContact CD2-CB 4.37Å; L265-I306 HydrophobicContact CD2-CG2 3.78Å; L265-I306 HydrophobicContact CG-CG2 4.44Å; T302-I306 VanDerWaalsContact O-CG1 3.26Å; T302-I306 WeakPolarHBondContact O-CG1 3.46Å; T302-I306 PolarHBondContact O-N 3.34Å; L303-I306 PolarHBondContact O-N 2.84Å; L304-I306 PolarHBondContact O-N 2.8Å; I306-P309 WeakPolarHBondContact O-CD 3.35Å; I306-I310 HydrophobicContact CG2-CD1 3.58Å; I306-I310 WeakPolarHBondContact O-CB 3.28Å; I306-I310 WeakPolarHBondContact O-CD1 3.45Å; I306-I310 WeakPolarHBondContact O-CG1 3.26Å; I306-I310 PolarHBondContact O-N 3.24Å |
| 307 | A | 85.3 | Confident | 83.5 | Confident | 23 Ų | 23 | 48.8 Ų | 48.8 | 19% | 0.19 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.7 | -42.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L265 L303 L304 S311 | L265-A307 HydrophobicContact CD2-CB 3.97Å; L303-A307 WeakPolarHBondContact O-CB 3.39Å; L303-A307 PolarHBondContact O-N 3.31Å; L304-A307 PolarHBondContact O-N 3.29Å; A307-S311 VanDerWaalsContact O-CB 3.23Å; A307-S311 WeakPolarHBondContact O-CB 3.21Å; A307-S311 PolarHBondContact O-N 2.87Å; A307-S311 PolarHBondContact O-OG 2.84Å |
| 308 | I | 90.1 | Very high | 84.5 | Confident | 94 Ų | 94 | 48.7 Ų | 48.7 | 48% | 0.482 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61 | -58.4 | -177.6 | -67.3 | 169.6 | 0 | 0 | 0 | 111.7 | F177 L304 I310 S311 L312 | F177-I308 HydrophobicContact CE2-CG2 4.28Å; L304-I308 HydrophobicContact CB-CD1 4.05Å; L304-I308 HydrophobicContact CD2-CD1 4.45Å; L304-I308 VanDerWaalsContact O-CB 3.28Å; L304-I308 WeakPolarHBondContact O-CB 3.24Å; L304-I308 VanDerWaalsContact O-CG1 3.24Å; L304-I308 WeakPolarHBondContact O-CG1 3.34Å; L304-I308 PolarHBondContact O-N 3.1Å; I308-I310 VanDerWaalsContact C-N 3.32Å; I308-I310 PolarHBondContact O-N 2.97Å; I308-S311 PolarHBondContact O-N 3.4Å; I308-L312 WeakPolarHBondContact O-CB 3.28Å; I308-L312 PolarHBondContact O-N 2.81Å |
| 309 | P | 89.9 | Confident | 85.8 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -37.5 | -178.9 | 21.7 | -31.4 | 0 | 0 | 0 | 112.1 | F177 K180 C181 F305 I306 L312 G313 | F177-P309 HydrophobicContact CD1-CB 4.49Å; F177-P309 HydrophobicContact CD2-CB 3.83Å; F177-P309 HydrophobicContact CD2-CG 4.07Å; F177-P309 HydrophobicContact CE1-CB 4.4Å; F177-P309 HydrophobicContact CE2-CB 3.73Å; F177-P309 HydrophobicContact CE2-CG 4.12Å; F177-P309 HydrophobicContact CG-CB 4.22Å; F177-P309 HydrophobicContact CZ-CB 4.03Å; K180-P309 HydrophobicContact CB-CB 3.74Å; K180-P309 HydrophobicContact CB-CG 3.65Å; K180-P309 HydrophobicContact CD-CG 3.89Å; K180-P309 HydrophobicContact CG-CG 4.43Å; C181-P309 VanDerWaalsContact CA-O 3.28Å; C181-P309 WeakPolarHBondContact CA-O 3.27Å; C181-P309 HydrophobicContact CB-CB 4.28Å; F305-P309 VanDerWaalsContact O-CD 3.25Å; F305-P309 WeakPolarHBondContact O-CD 3.43Å; F305-P309 WeakPolarHBondContact O-CG 3.49Å; I306-P309 WeakPolarHBondContact O-CD 3.35Å; P309-L312 PolarHBondContact O-N 3.28Å; P309-G313 PolarHBondContact O-N 3.45Å |
| 310 | I | 90 | Very high | 87 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 177.9 | -69.3 | 179.1 | 0 | 0 | 0 | 111 | K180 G184 V187 I261 I306 I308 L312 G313 M314 | K180-I310 HydrophobicContact CB-CG1 4.49Å; G184-I310 WeakPolarHBondContact CA-O 3.24Å; V187-I310 HydrophobicContact CG2-CG2 4.31Å; I261-I310 HydrophobicContact CG1-CD1 4.28Å; I261-I310 HydrophobicContact CG2-CD1 3.67Å; I261-I310 HydrophobicContact CG2-CG2 3.94Å; I306-I310 HydrophobicContact CG2-CD1 3.58Å; I306-I310 WeakPolarHBondContact O-CB 3.28Å; I306-I310 WeakPolarHBondContact O-CD1 3.45Å; I306-I310 WeakPolarHBondContact O-CG1 3.26Å; I306-I310 PolarHBondContact O-N 3.24Å; I308-I310 VanDerWaalsContact C-N 3.32Å; I308-I310 PolarHBondContact O-N 2.97Å; I310-L312 VanDerWaalsContact C-N 3.31Å; I310-L312 PolarHBondContact O-N 3.01Å; I310-G313 PolarHBondContact O-N 2.97Å; I310-G313 VanDerWaalsContact O-N 3.15Å; I310-M314 HydrophobicContact CG2-SD 4.43Å; I310-M314 WeakPolarHBondContact O-CG 3.28Å; I310-M314 PolarHBondContact O-N 2.9Å |
| 311 | S | 91.1 | Very high | 87.9 | Confident | 70 Ų | 70 | 59.5 Ų | 59.5 | 49% | 0.49 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 177.1 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | A307 I308 G313 M314 L315 | A307-S311 VanDerWaalsContact O-CB 3.23Å; A307-S311 WeakPolarHBondContact O-CB 3.21Å; A307-S311 PolarHBondContact O-N 2.87Å; A307-S311 PolarHBondContact O-OG 2.84Å; I308-S311 PolarHBondContact O-N 3.4Å; S311-G313 VanDerWaalsContact C-N 3.35Å; S311-M314 PolarHBondContact O-N 3.31Å; S311-L315 PolarHBondContact O-N 3.47Å |
| 312 | L | 93.8 | Very high | 88.9 | Confident | 73 Ų | 73 | 60.9 Ų | 60.9 | 38% | 0.382 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 173.7 | -176 | 61.2 | 0 | 0 | 0 | 111.4 | F177 I308 P309 I310 M314 L315 I316 | F177-L312 HydrophobicContact CE1-CD2 4.2Å; F177-L312 HydrophobicContact CZ-CD2 4.2Å; I308-L312 WeakPolarHBondContact O-CB 3.28Å; I308-L312 PolarHBondContact O-N 2.81Å; P309-L312 PolarHBondContact O-N 3.28Å; I310-L312 VanDerWaalsContact C-N 3.31Å; I310-L312 PolarHBondContact O-N 3.01Å; L312-M314 PolarHBondContact O-N 3.18Å; L312-L315 WeakPolarHBondContact O-CB 3.2Å; L312-L315 PolarHBondContact O-N 2.85Å; L312-I316 HydrophobicContact CG-CD1 4.06Å; L312-I316 VanDerWaalsContact O-CG1 3.29Å; L312-I316 WeakPolarHBondContact O-CG1 3.21Å; L312-I316 PolarHBondContact O-N 3.25Å |
| 313 | G | 92.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C181 C185 P309 I310 S311 I316 K317 | C181-G313 WeakPolarHBondContact O-CA 3.3Å; C185-G313 PolarHBondContact SG-O 3.48Å; P309-G313 PolarHBondContact O-N 3.45Å; I310-G313 PolarHBondContact O-N 2.97Å; I310-G313 VanDerWaalsContact O-N 3.15Å; S311-G313 VanDerWaalsContact C-N 3.35Å; G313-I316 PolarHBondContact O-N 2.89Å; G313-K317 PolarHBondContact O-N 3.36Å |
| 314 | M | 92.6 | Very high | 90.6 | Very high | 46 Ų | 46 | 62 Ų | 62 | 23% | 0.227 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 173.1 | -70.8 | 176.1 | 67.2 | 0 | 0 | 111.5 | G184 V187 V189 L192 I310 S311 L312 K317 L318 | G184-M314 WeakPolarHBondContact O-CG 3.24Å; V187-M314 HydrophobicContact CB-CG 3.86Å; V187-M314 HydrophobicContact CB-SD 4.09Å; V187-M314 HydrophobicContact CG1-CE 3.82Å; V187-M314 HydrophobicContact CG1-CG 4.16Å; V187-M314 HydrophobicContact CG1-SD 3.78Å; V187-M314 HydrophobicContact CG2-CG 4.26Å; V187-M314 HydrophobicContact CG2-SD 4.36Å; V189-M314 HydrophobicContact CG2-CE 4.38Å; L192-M314 HydrophobicContact CD2-CE 4.36Å; I310-M314 HydrophobicContact CG2-SD 4.43Å; I310-M314 WeakPolarHBondContact O-CG 3.28Å; I310-M314 PolarHBondContact O-N 2.9Å; S311-M314 PolarHBondContact O-N 3.31Å; L312-M314 PolarHBondContact O-N 3.18Å; M314-K317 WeakPolarHBondContact O-CB 3.46Å; M314-K317 PolarHBondContact O-N 3.13Å; M314-L318 WeakPolarHBondContact O-CG 3.43Å; M314-L318 PolarHBondContact O-N 3.49Å |
| 315 | L | 93.6 | Very high | 91.1 | Very high | 87 Ų | 87 | 66.8 Ų | 66.8 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 176.6 | -176.8 | 62.7 | 0 | 0 | 0 | 111.8 | S311 L312 K317 L318 R319 | S311-L315 PolarHBondContact O-N 3.47Å; L312-L315 WeakPolarHBondContact O-CB 3.2Å; L312-L315 PolarHBondContact O-N 2.85Å; L315-K317 VanDerWaalsContact C-N 3.32Å; L315-K317 PolarHBondContact O-N 3.17Å; L315-L318 PolarHBondContact O-N 3.21Å; L315-R319 HydrophobicContact CD1-CG 4.01Å; L315-R319 HydrophobicContact CG-CG 4.49Å; L315-R319 PolarHBondContact O-N 2.86Å |
| 316 | I | 94.3 | Very high | 91.7 | Very high | 19 Ų | 19 | 67.1 Ų | 67.1 | 10% | 0.097 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | 174.7 | -72.1 | 166.7 | 0 | 0 | 0 | 110.7 | L312 G313 L318 R319 L320 L323 T324 L327 | L312-I316 HydrophobicContact CG-CD1 4.06Å; L312-I316 VanDerWaalsContact O-CG1 3.29Å; L312-I316 WeakPolarHBondContact O-CG1 3.21Å; L312-I316 PolarHBondContact O-N 3.25Å; G313-I316 PolarHBondContact O-N 2.89Å; I316-L318 PolarHBondContact O-N 2.8Å; I316-R319 PolarHBondContact O-N 3.43Å; I316-L320 HydrophobicContact CG2-CB 4.28Å; I316-L320 CarbonylContact O-C 3.58Å; I316-L320 WeakPolarHBondContact O-CA 3.48Å; I316-L320 PolarHBondContact O-N 2.7Å; I316-L323 HydrophobicContact CD1-CD2 4.1Å; I316-L323 HydrophobicContact CG1-CD2 4.3Å; I316-L323 HydrophobicContact CG2-CB 4.11Å; I316-L323 HydrophobicContact CG2-CD2 3.82Å; I316-L323 HydrophobicContact CG2-CG 3.9Å; I316-T324 PolarHBondContact O-OG1 3.4Å; I316-L327 HydrophobicContact CD1-CD1 4.18Å; I316-L327 HydrophobicContact CG2-CD1 3.98Å |
| 317 | K | 93.8 | Very high | 92.2 | Very high | 74 Ų | 74 | 67.4 Ų | 67.4 | 32% | 0.322 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -54.6 | -41.7 | 175 | -167 | -167.3 | -173.1 | -174.7 | 0 | 112 | C185 V187 G313 M314 L315 T324 | C185-K317 VanDerWaalsContact O-CD 3.31Å; C185-K317 WeakPolarHBondContact O-CD 3.28Å; C185-K317 WeakPolarHBondContact O-CE 3.41Å; V187-K317 PolarHBondContact O-NZ 3.41Å; G313-K317 PolarHBondContact O-N 3.36Å; M314-K317 WeakPolarHBondContact O-CB 3.46Å; M314-K317 PolarHBondContact O-N 3.13Å; L315-K317 VanDerWaalsContact C-N 3.32Å; L315-K317 PolarHBondContact O-N 3.17Å; K317-T324 WeakPolarHBondContact CA-OG1 3.4Å; K317-T324 HydrophobicContact CG-CG2 4.32Å |
| 318 | L | 90.9 | Very high | 92.6 | Very high | 124 Ų | 124 | 69.1 Ų | 69.1 | 65% | 0.649 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -77 | -36.9 | -177.4 | -65.7 | 170.4 | 0 | 0 | 0 | 113.1 | M314 L315 I316 | M314-L318 WeakPolarHBondContact O-CG 3.43Å; M314-L318 PolarHBondContact O-N 3.49Å; L315-L318 PolarHBondContact O-N 3.21Å; I316-L318 PolarHBondContact O-N 2.8Å |
| 319 | R | 94.3 | Very high | 92.6 | Very high | 191 Ų | 191 | 70 Ų | 70 | 72% | 0.721 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -103.2 | -27.5 | -169.7 | -62.1 | -63.2 | -170.9 | 90.5 | -0.1 | 114.4 | L315 I316 | L315-R319 HydrophobicContact CD1-CG 4.01Å; L315-R319 HydrophobicContact CG-CG 4.49Å; L315-R319 PolarHBondContact O-N 2.86Å; I316-R319 PolarHBondContact O-N 3.43Å |
| 320 | L | 95.3 | Very high | 92.7 | Very high | 89 Ų | 89 | 72.4 Ų | 72.4 | 47% | 0.466 | 38% | 0.377 | S | S | . | . | trans | -136.2 | 75.7 | -167.6 | -60.9 | 172.2 | 0 | 0 | 0 | 111 | I316 A322 L323 T324 | I316-L320 HydrophobicContact CG2-CB 4.28Å; I316-L320 CarbonylContact O-C 3.58Å; I316-L320 WeakPolarHBondContact O-CA 3.48Å; I316-L320 PolarHBondContact O-N 2.7Å; L320-A322 VanDerWaalsContact C-N 3.26Å; L320-A322 PolarHBondContact O-N 3.49Å; L320-L323 HydrophobicContact CB-CB 4.02Å; L320-L323 HydrophobicContact CD1-CD2 4.1Å; L320-L323 PolarHBondContact O-N 2.85Å; L320-T324 PolarHBondContact O-N 3.41Å; L320-T324 PolarHBondContact O-OG1 3.04Å | ||
| 321 | P | 91.5 | Very high | 92.7 | Very high | 91 Ų | 91 | 72.3 Ų | 72.3 | 59% | 0.591 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.8 | -29.3 | -177.5 | 24.6 | -34 | 0 | 0 | 0 | 113.1 | T324 R325 | P321-T324 WeakPolarHBondContact O-CB 3.5Å; P321-T324 PolarHBondContact O-N 3.41Å; P321-R325 PolarHBondContact O-N 3.33Å |
| 322 | A | 93.2 | Very high | 92.5 | Very high | 62 Ų | 62 | 77.4 Ų | 77.4 | 51% | 0.512 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.8 | -48.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L320 T324 R325 | L320-A322 VanDerWaalsContact C-N 3.26Å; L320-A322 PolarHBondContact O-N 3.49Å; A322-T324 VanDerWaalsContact C-N 3.31Å; A322-T324 PolarHBondContact O-N 3.2Å; A322-R325 PolarHBondContact O-N 3.29Å |
| 323 | L | 92.3 | Very high | 92.2 | Very high | 75 Ų | 75 | 77 Ų | 77 | 39% | 0.393 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.1 | -37 | 177.5 | -178 | 58.1 | 0 | 0 | 0 | 111.6 | I316 L320 R325 V326 L327 | I316-L323 HydrophobicContact CD1-CD2 4.1Å; I316-L323 HydrophobicContact CG1-CD2 4.3Å; I316-L323 HydrophobicContact CG2-CB 4.11Å; I316-L323 HydrophobicContact CG2-CD2 3.82Å; I316-L323 HydrophobicContact CG2-CG 3.9Å; L320-L323 HydrophobicContact CB-CB 4.02Å; L320-L323 HydrophobicContact CD1-CD2 4.1Å; L320-L323 PolarHBondContact O-N 2.85Å; L323-R325 VanDerWaalsContact C-N 3.33Å; L323-R325 PolarHBondContact O-N 3.02Å; L323-V326 PolarHBondContact O-N 3.25Å; L323-V326 VanDerWaalsContact O-N 3.17Å; L323-L327 HydrophobicContact CD1-CG 4.37Å; L323-L327 HydrophobicContact CG-CD1 4.11Å; L323-L327 HydrophobicContact CG-CG 4.37Å; L323-L327 PolarHBondContact O-N 2.9Å |
| 324 | T | 93.3 | Very high | 92 | Very high | 14 Ų | 14 | 79.4 Ų | 79.4 | 9% | 0.086 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -54.5 | -48 | 174.6 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | C185 I316 K317 L320 P321 A322 V326 L327 L328 | C185-T324 HydrophobicContact CB-CG2 4.07Å; I316-T324 PolarHBondContact O-OG1 3.4Å; K317-T324 WeakPolarHBondContact CA-OG1 3.4Å; K317-T324 HydrophobicContact CG-CG2 4.32Å; L320-T324 PolarHBondContact O-N 3.41Å; L320-T324 PolarHBondContact O-OG1 3.04Å; P321-T324 WeakPolarHBondContact O-CB 3.5Å; P321-T324 PolarHBondContact O-N 3.41Å; A322-T324 VanDerWaalsContact C-N 3.31Å; A322-T324 PolarHBondContact O-N 3.2Å; T324-V326 VanDerWaalsContact C-N 3.29Å; T324-V326 PolarHBondContact O-N 3.38Å; T324-L327 PolarHBondContact O-N 3.35Å; T324-L328 HydrophobicContact CG2-CD1 4.16Å; T324-L328 HydrophobicContact CG2-CG 4.3Å; T324-L328 WeakPolarHBondContact O-CB 3.47Å; T324-L328 VanDerWaalsContact O-CG 3.25Å; T324-L328 WeakPolarHBondContact O-CG 3.25Å; T324-L328 PolarHBondContact O-N 3.08Å |
| 325 | R | 92.6 | Very high | 91.7 | Very high | 184 Ų | 184 | 77.3 Ų | 77.3 | 69% | 0.694 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.1 | -41.1 | 178.8 | -72.7 | -172.3 | -69 | 176.3 | -1.6 | 112.3 | P321 A322 L323 V329 | P321-R325 PolarHBondContact O-N 3.33Å; A322-R325 PolarHBondContact O-N 3.29Å; L323-R325 VanDerWaalsContact C-N 3.33Å; L323-R325 PolarHBondContact O-N 3.02Å; R325-V329 WeakPolarHBondContact O-CG2 3.09Å; R325-V329 PolarHBondContact O-N 3.25Å |
| 326 | V | 93.4 | Very high | 91.2 | Very high | 81 Ų | 81 | 77.3 Ų | 77.3 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.8 | -51.4 | 177.7 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | L323 T324 L328 V329 L330 | L323-V326 PolarHBondContact O-N 3.25Å; L323-V326 VanDerWaalsContact O-N 3.17Å; T324-V326 VanDerWaalsContact C-N 3.29Å; T324-V326 PolarHBondContact O-N 3.38Å; V326-L328 VanDerWaalsContact C-N 3.29Å; V326-L328 PolarHBondContact O-N 3.04Å; V326-V329 PolarHBondContact O-N 3.09Å; V326-V329 VanDerWaalsContact O-N 3.11Å; V326-L330 HydrophobicContact CG1-CD1 4.13Å; V326-L330 WeakPolarHBondContact O-CG 3.48Å; V326-L330 PolarHBondContact O-N 2.95Å |
| 327 | L | 92.1 | Very high | 90.9 | Very high | 13 Ų | 13 | 80 Ų | 80 | 7% | 0.068 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -57.8 | -42 | -179.5 | -74.5 | 175.1 | 0 | 0 | 0 | 112.1 | V178 A182 I316 L323 T324 V329 L330 I331 | V178-L327 HydrophobicContact CG1-CD2 4Å; A182-L327 HydrophobicContact CB-CB 3.92Å; A182-L327 HydrophobicContact CB-CD2 4.27Å; A182-L327 WeakPolarHBondContact CB-O 3.27Å; I316-L327 HydrophobicContact CD1-CD1 4.18Å; I316-L327 HydrophobicContact CG2-CD1 3.98Å; L323-L327 HydrophobicContact CD1-CG 4.37Å; L323-L327 HydrophobicContact CG-CD1 4.11Å; L323-L327 HydrophobicContact CG-CG 4.37Å; L323-L327 PolarHBondContact O-N 2.9Å; T324-L327 PolarHBondContact O-N 3.35Å; L327-V329 VanDerWaalsContact C-N 3.28Å; L327-V329 PolarHBondContact O-N 3.25Å; L327-L330 PolarHBondContact O-N 2.85Å; L327-L330 VanDerWaalsContact O-N 3.08Å; L327-I331 PolarHBondContact O-N 3.28Å |
| 328 | L | 92.7 | Very high | 90.5 | Very high | 59 Ų | 59 | 77.9 Ų | 77.9 | 31% | 0.309 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.4 | -35.5 | 178.5 | -71.3 | -175.6 | 0 | 0 | 0 | 113.2 | C185 K186 T324 V326 I331 | C185-L328 HydrophobicContact CB-CD2 4Å; K186-L328 HydrophobicContact CD-CD2 3.88Å; K186-L328 HydrophobicContact CG-CD2 3.64Å; T324-L328 HydrophobicContact CG2-CD1 4.16Å; T324-L328 HydrophobicContact CG2-CG 4.3Å; T324-L328 WeakPolarHBondContact O-CB 3.47Å; T324-L328 VanDerWaalsContact O-CG 3.25Å; T324-L328 WeakPolarHBondContact O-CG 3.25Å; T324-L328 PolarHBondContact O-N 3.08Å; V326-L328 VanDerWaalsContact C-N 3.29Å; V326-L328 PolarHBondContact O-N 3.04Å; L328-I331 HydrophobicContact CD2-CD1 3.77Å |
| 329 | V | 92.1 | Very high | 90 | Very high | 112 Ų | 112 | 73.4 Ų | 73.4 | 68% | 0.679 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -71.1 | -34.7 | 176.1 | 174.8 | 0 | 0 | 0 | 0 | 111 | R325 V326 L327 I331 P333 | R325-V329 WeakPolarHBondContact O-CG2 3.09Å; R325-V329 PolarHBondContact O-N 3.25Å; V326-V329 PolarHBondContact O-N 3.09Å; V326-V329 VanDerWaalsContact O-N 3.11Å; L327-V329 VanDerWaalsContact C-N 3.28Å; L327-V329 PolarHBondContact O-N 3.25Å; V329-I331 VanDerWaalsContact C-N 3.32Å; V329-I331 PolarHBondContact O-N 3.45Å; V329-P333 VanDerWaalsContact O-CD 3.29Å; V329-P333 WeakPolarHBondContact O-CD 3.32Å |
| 330 | L | 90.9 | Very high | 89.5 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 27% | 0.272 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -73 | -19.1 | -179.3 | -66.2 | 175.6 | 0 | 0 | 0 | 114.3 | V326 L327 R332 P333 F334 | V326-L330 HydrophobicContact CG1-CD1 4.13Å; V326-L330 WeakPolarHBondContact O-CG 3.48Å; V326-L330 PolarHBondContact O-N 2.95Å; L327-L330 PolarHBondContact O-N 2.85Å; L327-L330 VanDerWaalsContact O-N 3.08Å; L330-R332 VanDerWaalsContact C-N 3.35Å; L330-R332 PolarHBondContact O-N 3.49Å; L330-P333 VanDerWaalsContact O-CD 3.24Å; L330-P333 WeakPolarHBondContact O-CD 3.4Å; L330-P333 WeakPolarHBondContact O-CG 3.5Å; L330-F334 HydrophobicContact CB-CD2 4.26Å; L330-F334 HydrophobicContact CB-CE2 4.23Å; L330-F334 HydrophobicContact CB-CZ 4.45Å; L330-F334 HydrophobicContact CD1-CE2 4.2Å; L330-F334 HydrophobicContact CD1-CZ 4.17Å; L330-F334 HydrophobicContact CD2-CE1 4.14Å; L330-F334 HydrophobicContact CD2-CZ 4.15Å; L330-F334 WeakPolarHBondContact O-CB 3.44Å; L330-F334 WeakPolarHBondContact O-CG 3.4Å; L330-F334 PolarHBondContact O-N 3.33Å; L330-F334 VanDerWaalsContact O-N 3.1Å |
| 331 | I | 89.2 | Confident | 88.8 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -50.8 | -53.6 | -178.3 | -65.9 | 174.9 | 0 | 0 | 0 | 111.4 | N179 A182 F183 K186 L251 L327 L328 V329 S335 | N179-I331 PolarHBondContact OD1-O 3.31Å; A182-I331 HydrophobicContact CB-CD1 4.33Å; A182-I331 HydrophobicContact CB-CG1 3.54Å; F183-I331 HydrophobicContact CD2-CG2 4.17Å; F183-I331 HydrophobicContact CE1-CG2 4.07Å; F183-I331 HydrophobicContact CE2-CG2 3.53Å; F183-I331 HydrophobicContact CZ-CG2 3.46Å; F183-I331 VanDerWaalsContact CZ-CG2 3.46Å; K186-I331 HydrophobicContact CG-CD1 3.75Å; L251-I331 HydrophobicContact CD2-CG2 3.5Å; L251-I331 VanDerWaalsContact CD2-CG2 3.5Å; L327-I331 PolarHBondContact O-N 3.28Å; L328-I331 HydrophobicContact CD2-CD1 3.77Å; V329-I331 VanDerWaalsContact C-N 3.32Å; V329-I331 PolarHBondContact O-N 3.45Å; I331-S335 WeakPolarHBondContact O-CB 3.46Å; I331-S335 PolarHBondContact O-N 2.87Å; I331-S335 PolarHBondContact O-OG 3.19Å |
| 332 | R | 87.3 | Confident | 88.1 | Confident | 178 Ų | 178 | 62.4 Ų | 62.4 | 67% | 0.672 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65 | -54.9 | -174.8 | -70.1 | -175.7 | 179.5 | 168.6 | 0.9 | 113.4 | L330 F334 S335 V336 | L330-R332 VanDerWaalsContact C-N 3.35Å; L330-R332 PolarHBondContact O-N 3.49Å; R332-F334 PolarHBondContact O-N 2.97Å; R332-S335 WeakPolarHBondContact O-CB 3.35Å; R332-S335 PolarHBondContact O-N 3.48Å; R332-V336 WeakPolarHBondContact O-CG2 3.17Å; R332-V336 PolarHBondContact O-N 3.33Å |
| 333 | P | 88.4 | Confident | 87.5 | Confident | 65 Ų | 65 | 62.5 Ų | 62.5 | 42% | 0.422 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | -178.5 | 23.4 | -33.7 | 0 | 0 | 0 | 111.9 | V329 L330 S335 V336 V337 | V329-P333 VanDerWaalsContact O-CD 3.29Å; V329-P333 WeakPolarHBondContact O-CD 3.32Å; L330-P333 VanDerWaalsContact O-CD 3.24Å; L330-P333 WeakPolarHBondContact O-CD 3.4Å; L330-P333 WeakPolarHBondContact O-CG 3.5Å; P333-S335 VanDerWaalsContact C-N 3.33Å; P333-S335 PolarHBondContact O-N 2.92Å; P333-V336 PolarHBondContact O-N 3.4Å; P333-V337 WeakPolarHBondContact O-CG2 3.29Å; P333-V337 PolarHBondContact O-N 3.14Å |
| 334 | F | 88.3 | Confident | 87 | Confident | 49 Ų | 49 | 63.9 Ų | 63.9 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 178.6 | -73.7 | 4.9 | 0 | 0 | 0 | 111.4 | L175 V178 N179 L330 R332 V336 V337 L338 | L175-F334 HydrophobicContact CD1-CB 4.08Å; L175-F334 HydrophobicContact CD1-CD1 3.57Å; L175-F334 HydrophobicContact CD1-CD2 3.5Å; L175-F334 VanDerWaalsContact CD1-CD2 3.5Å; L175-F334 HydrophobicContact CD1-CE1 3.71Å; L175-F334 HydrophobicContact CD1-CE2 3.63Å; L175-F334 HydrophobicContact CD1-CG 3.46Å; L175-F334 VanDerWaalsContact CD1-CG 3.46Å; L175-F334 HydrophobicContact CD1-CZ 3.73Å; L175-F334 HydrophobicContact CG-CB 4.37Å; L175-F334 HydrophobicContact CG-CD2 4.38Å; L175-F334 HydrophobicContact CG-CG 4.25Å; V178-F334 HydrophobicContact CB-CD2 4.46Å; V178-F334 HydrophobicContact CB-CE2 4.12Å; V178-F334 HydrophobicContact CG1-CD2 4.25Å; V178-F334 HydrophobicContact CG1-CE2 3.72Å; N179-F334 HydrophobicContact CB-CB 4.16Å; L330-F334 HydrophobicContact CB-CD2 4.26Å; L330-F334 HydrophobicContact CB-CE2 4.23Å; L330-F334 HydrophobicContact CB-CZ 4.45Å; L330-F334 HydrophobicContact CD1-CE2 4.2Å; L330-F334 HydrophobicContact CD1-CZ 4.17Å; L330-F334 HydrophobicContact CD2-CE1 4.14Å; L330-F334 HydrophobicContact CD2-CZ 4.15Å; L330-F334 WeakPolarHBondContact O-CB 3.44Å; L330-F334 WeakPolarHBondContact O-CG 3.4Å; L330-F334 PolarHBondContact O-N 3.33Å; L330-F334 VanDerWaalsContact O-N 3.1Å; R332-F334 PolarHBondContact O-N 2.97Å; F334-V336 VanDerWaalsContact C-N 3.34Å; F334-V336 PolarHBondContact O-N 3.38Å; F334-V337 PolarHBondContact O-N 2.83Å; F334-L338 WeakPolarHBondContact O-CB 3.07Å; F334-L338 WeakPolarHBondContact O-CG 3.4Å; F334-L338 PolarHBondContact O-N 3.47Å |
| 335 | S | 85.4 | Confident | 86.1 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.014 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 176.2 | -71.6 | 0 | 0 | 0 | 0 | 113.5 | N179 L248 I331 R332 P333 L338 M339 | N179-S335 PolarHBondContact ND2-OG 3.08Å; N179-S335 PolarHBondContact OD1-OG 3.19Å; L248-S335 WeakPolarHBondContact CD1-OG 3.39Å; L248-S335 VanDerWaalsContact CD2-CB 3.4Å; I331-S335 WeakPolarHBondContact O-CB 3.46Å; I331-S335 PolarHBondContact O-N 2.87Å; I331-S335 PolarHBondContact O-OG 3.19Å; R332-S335 WeakPolarHBondContact O-CB 3.35Å; R332-S335 PolarHBondContact O-N 3.48Å; P333-S335 VanDerWaalsContact C-N 3.33Å; P333-S335 PolarHBondContact O-N 2.92Å; S335-L338 PolarHBondContact O-N 3.43Å; S335-M339 WeakPolarHBondContact O-CG 3.21Å; S335-M339 PolarHBondContact O-N 3.41Å |
| 336 | V | 84.7 | Confident | 85.2 | Confident | 88 Ų | 88 | 55.9 Ų | 55.9 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66 | -45.9 | 175.1 | 172.3 | 0 | 0 | 0 | 0 | 111 | R332 P333 F334 L338 M339 V340 | R332-V336 WeakPolarHBondContact O-CG2 3.17Å; R332-V336 PolarHBondContact O-N 3.33Å; P333-V336 PolarHBondContact O-N 3.4Å; F334-V336 VanDerWaalsContact C-N 3.34Å; F334-V336 PolarHBondContact O-N 3.38Å; V336-L338 VanDerWaalsContact C-N 3.3Å; V336-L338 PolarHBondContact O-N 3.46Å; V336-M339 PolarHBondContact O-N 3.06Å; V336-V340 HydrophobicContact CG1-CG2 4.44Å; V336-V340 WeakPolarHBondContact O-CG2 3.35Å; V336-V340 PolarHBondContact O-N 3.39Å |
| 337 | V | 87.4 | Confident | 84.3 | Confident | 76 Ų | 76 | 60.6 Ų | 60.6 | 46% | 0.461 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 176.8 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | L175 P333 F334 G341 | L175-V337 HydrophobicContact CD2-CB 4.05Å; L175-V337 HydrophobicContact CD2-CG1 3.53Å; P333-V337 WeakPolarHBondContact O-CG2 3.29Å; P333-V337 PolarHBondContact O-N 3.14Å; F334-V337 PolarHBondContact O-N 2.83Å; V337-G341 WeakPolarHBondContact O-CA 3.34Å; V337-G341 PolarHBondContact O-N 3.1Å |
| 338 | L | 84.8 | Confident | 83.4 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 15% | 0.147 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 177.4 | -70.8 | 173.1 | 0 | 0 | 0 | 112.7 | L172 L175 I176 N179 F334 S335 V336 G342 | L172-L338 HydrophobicContact CB-CD2 4.37Å; L172-L338 HydrophobicContact CD2-CD2 3.92Å; L175-L338 HydrophobicContact CB-CD2 4.07Å; L175-L338 HydrophobicContact CD2-CD2 3.75Å; L175-L338 HydrophobicContact CD2-CG 3.91Å; L175-L338 HydrophobicContact CG-CD1 4.49Å; L175-L338 HydrophobicContact CG-CD2 3.96Å; L175-L338 HydrophobicContact CG-CG 4.12Å; I176-L338 HydrophobicContact CB-CD2 4.42Å; I176-L338 HydrophobicContact CD1-CD2 4.34Å; I176-L338 HydrophobicContact CG1-CD1 4.08Å; I176-L338 HydrophobicContact CG1-CD2 3.38Å; I176-L338 HydrophobicContact CG1-CG 4.34Å; N179-L338 HydrophobicContact CB-CD1 3.7Å; N179-L338 WeakPolarHBondContact ND2-CD1 3.2Å; F334-L338 WeakPolarHBondContact O-CB 3.07Å; F334-L338 WeakPolarHBondContact O-CG 3.4Å; F334-L338 PolarHBondContact O-N 3.47Å; S335-L338 PolarHBondContact O-N 3.43Å; V336-L338 VanDerWaalsContact C-N 3.3Å; V336-L338 PolarHBondContact O-N 3.46Å; L338-G342 PolarHBondContact O-N 3.01Å |
| 339 | M | 81.4 | Confident | 82.1 | Confident | 30 Ų | 30 | 62.7 Ų | 62.7 | 15% | 0.148 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.2 | -51.2 | 174.2 | -76.6 | -165.8 | -159.4 | 0 | 0 | 111.4 | L248 Y249 L252 S335 V336 G342 I343 | L248-M339 HydrophobicContact CD1-CE 4.34Å; L248-M339 HydrophobicContact CD2-CE 3.26Å; L248-M339 HydrophobicContact CD2-CG 4.21Å; L248-M339 HydrophobicContact CG-CE 3.54Å; Y249-M339 HydrophobicContact CD1-CE 3.71Å; Y249-M339 HydrophobicContact CE1-CE 3.18Å; Y249-M339 HydrophobicContact CE1-SD 3.77Å; L252-M339 HydrophobicContact CD1-CE 3.97Å; S335-M339 WeakPolarHBondContact O-CG 3.21Å; S335-M339 PolarHBondContact O-N 3.41Å; V336-M339 PolarHBondContact O-N 3.06Å; M339-G342 PolarHBondContact O-N 3.15Å; M339-I343 WeakPolarHBondContact O-CG1 3.32Å; M339-I343 PolarHBondContact O-N 2.85Å |
| 340 | V | 82.6 | Confident | 80.9 | Confident | 92 Ų | 92 | 57.4 Ų | 57.4 | 56% | 0.558 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.2 | -44.6 | -178.5 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | V336 G342 I343 F344 | V336-V340 HydrophobicContact CG1-CG2 4.44Å; V336-V340 WeakPolarHBondContact O-CG2 3.35Å; V336-V340 PolarHBondContact O-N 3.39Å; V340-G342 VanDerWaalsContact C-N 3.32Å; V340-G342 PolarHBondContact O-N 3.28Å; V340-I343 PolarHBondContact O-N 3.44Å; V340-F344 WeakPolarHBondContact O-CB 3.47Å; V340-F344 PolarHBondContact O-N 2.89Å |
| 341 | G | 80.9 | Confident | 79.9 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 12% | 0.124 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V337 F344 M345 | V337-G341 WeakPolarHBondContact O-CA 3.34Å; V337-G341 PolarHBondContact O-N 3.1Å; G341-F344 PolarHBondContact O-N 2.76Å; G341-M345 WeakPolarHBondContact O-CB 3.42Å; G341-M345 VanDerWaalsContact O-CG 3.27Å; G341-M345 WeakPolarHBondContact O-CG 3.3Å; G341-M345 PolarHBondContact O-N 3.45Å |
| 342 | G | 78.1 | Confident | 78.8 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 37% | 0.371 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L338 M339 V340 M345 A346 | L338-G342 PolarHBondContact O-N 3.01Å; M339-G342 PolarHBondContact O-N 3.15Å; V340-G342 VanDerWaalsContact C-N 3.32Å; V340-G342 PolarHBondContact O-N 3.28Å; G342-M345 PolarHBondContact O-N 3.16Å; G342-A346 WeakPolarHBondContact O-CB 3.44Å; G342-A346 PolarHBondContact O-N 3.02Å |
| 343 | I | 79.9 | Confident | 77.9 | Confident | 65 Ų | 65 | 54.1 Ų | 54.1 | 33% | 0.333 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 175.5 | -68.2 | 165.6 | 0 | 0 | 0 | 110.7 | M339 V340 A346 Y347 | M339-I343 WeakPolarHBondContact O-CG1 3.32Å; M339-I343 PolarHBondContact O-N 2.85Å; V340-I343 PolarHBondContact O-N 3.44Å; I343-A346 PolarHBondContact O-N 2.89Å; I343-Y347 PolarHBondContact O-N 2.96Å |
| 344 | F | 81.1 | Confident | 77.1 | Confident | 103 Ų | 103 | 53.7 Ų | 53.7 | 45% | 0.452 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 176.6 | 176.9 | -99.4 | 0 | 0 | 0 | 111.5 | V168 V340 G341 Y347 Q348 | V168-F344 HydrophobicContact CG2-CE1 4.45Å; V340-F344 WeakPolarHBondContact O-CB 3.47Å; V340-F344 PolarHBondContact O-N 2.89Å; G341-F344 PolarHBondContact O-N 2.76Å; F344-Y347 PolarHBondContact O-N 3.07Å; F344-Q348 HydrophobicContact CD1-CG 4.34Å; F344-Q348 HydrophobicContact CE1-CG 3.94Å; F344-Q348 HydrophobicContact CE2-CG 4.29Å; F344-Q348 HydrophobicContact CZ-CG 3.91Å; F344-Q348 VanDerWaalsContact O-CG 3.32Å; F344-Q348 WeakPolarHBondContact O-CG 3.45Å; F344-Q348 PolarHBondContact O-N 3.45Å |
| 345 | M | 73.9 | Confident | 76.2 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 174.5 | -76 | -63 | -65.2 | 0 | 0 | 111.2 | N166 V168 L169 L172 G341 G342 Y347 Q348 M349 | N166-M345 HydrophobicContact CB-CE 3.85Å; N166-M345 HydrophobicContact CB-SD 4.39Å; V168-M345 HydrophobicContact CB-SD 3.78Å; V168-M345 HydrophobicContact CG1-CG 4.05Å; V168-M345 HydrophobicContact CG1-SD 3.84Å; L169-M345 HydrophobicContact CB-CE 4.15Å; L169-M345 HydrophobicContact CD1-CE 4.5Å; L172-M345 HydrophobicContact CD1-CG 4.14Å; G341-M345 WeakPolarHBondContact O-CB 3.42Å; G341-M345 VanDerWaalsContact O-CG 3.27Å; G341-M345 WeakPolarHBondContact O-CG 3.3Å; G341-M345 PolarHBondContact O-N 3.45Å; G342-M345 PolarHBondContact O-N 3.16Å; M345-Y347 VanDerWaalsContact C-N 3.34Å; M345-Y347 PolarHBondContact O-N 3.32Å; M345-Q348 PolarHBondContact O-N 2.87Å; M345-M349 HydrophobicContact CE-SD 4.13Å; M345-M349 WeakPolarHBondContact O-CG 3.13Å; M345-M349 PolarHBondContact O-N 3.11Å; M345-M349 VanDerWaalsContact O-N 3.11Å |
| 346 | A | 74.2 | Confident | 75.7 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 19% | 0.19 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57 | -48.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G342 I343 Q348 M349 G350 F426 L430 | G342-A346 WeakPolarHBondContact O-CB 3.44Å; G342-A346 PolarHBondContact O-N 3.02Å; I343-A346 PolarHBondContact O-N 2.89Å; A346-Q348 PolarHBondContact O-N 3.22Å; A346-M349 PolarHBondContact O-N 3.37Å; A346-M349 VanDerWaalsContact O-N 3.15Å; A346-G350 WeakPolarHBondContact O-CA 3.5Å; A346-G350 PolarHBondContact O-N 2.9Å; A346-F426 HydrophobicContact CB-CE2 4.28Å; A346-F426 HydrophobicContact CB-CZ 4.2Å; A346-F426 WeakPolarHBondContact O-CZ 3.35Å; A346-L430 HydrophobicContact CB-CD2 3.77Å |
| 347 | Y | 74.9 | Confident | 75.6 | Confident | 179 Ų | 179 | 59.3 Ų | 59.3 | 70% | 0.702 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -57.6 | -46.7 | 178.2 | 179.1 | -97.6 | 0 | 0 | 0 | 113.2 | I343 F344 M345 M349 G350 | I343-Y347 PolarHBondContact O-N 2.96Å; F344-Y347 PolarHBondContact O-N 3.07Å; M345-Y347 VanDerWaalsContact C-N 3.34Å; M345-Y347 PolarHBondContact O-N 3.32Å; Y347-M349 PolarHBondContact O-N 2.92Å; Y347-G350 PolarHBondContact O-N 2.9Å |
| 348 | Q | 72.4 | Confident | 75.5 | Confident | 99 Ų | 99 | 58 Ų | 58 | 46% | 0.463 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.1 | -35.8 | 178.8 | -71.8 | -77.9 | 89.4 | 0 | 0 | 112.1 | F344 M345 A346 | F344-Q348 HydrophobicContact CD1-CG 4.34Å; F344-Q348 HydrophobicContact CE1-CG 3.94Å; F344-Q348 HydrophobicContact CE2-CG 4.29Å; F344-Q348 HydrophobicContact CZ-CG 3.91Å; F344-Q348 VanDerWaalsContact O-CG 3.32Å; F344-Q348 WeakPolarHBondContact O-CG 3.45Å; F344-Q348 PolarHBondContact O-N 3.45Å; M345-Q348 PolarHBondContact O-N 2.87Å; A346-Q348 PolarHBondContact O-N 3.22Å |
| 349 | M | 65.5 | Low | 75.7 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -90.8 | -25.3 | -176.1 | -59.6 | -172.4 | 105.4 | 0 | 0 | 113.4 | G159 H162 F163 M345 A346 Y347 S351 S352 | G159-M349 WeakPolarHBondContact O-CE 3.33Å; H162-M349 HydrophobicContact CB-CE 3.7Å; F163-M349 VanDerWaalsContact CA-CE 3.49Å; F163-M349 HydrophobicContact CB-CE 3.85Å; F163-M349 HydrophobicContact CD2-CE 3.16Å; F163-M349 HydrophobicContact CD2-SD 3.38Å; F163-M349 WeakPolarHBondContact CD2-SD 3.49Å; F163-M349 HydrophobicContact CE1-SD 4.5Å; F163-M349 HydrophobicContact CE2-CE 3.76Å; F163-M349 HydrophobicContact CE2-SD 3.27Å; F163-M349 WeakPolarHBondContact CE2-SD 3.42Å; F163-M349 HydrophobicContact CG-CE 3.62Å; F163-M349 HydrophobicContact CG-SD 4Å; F163-M349 HydrophobicContact CZ-SD 3.87Å; M345-M349 HydrophobicContact CE-SD 4.13Å; M345-M349 WeakPolarHBondContact O-CG 3.13Å; M345-M349 PolarHBondContact O-N 3.11Å; M345-M349 VanDerWaalsContact O-N 3.11Å; A346-M349 PolarHBondContact O-N 3.37Å; A346-M349 VanDerWaalsContact O-N 3.15Å; Y347-M349 PolarHBondContact O-N 2.92Å; M349-S351 PolarHBondContact O-N 3.05Å; M349-S352 PolarHBondContact O-OG 3.24Å |
| 350 | G | 68.3 | Low | 76.2 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.3 | -21.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A346 Y347 S352 I353 L354 | A346-G350 WeakPolarHBondContact O-CA 3.5Å; A346-G350 PolarHBondContact O-N 2.9Å; Y347-G350 PolarHBondContact O-N 2.9Å; G350-S352 VanDerWaalsContact C-N 3.28Å; G350-S352 PolarHBondContact O-N 3.19Å; G350-I353 PolarHBondContact O-N 2.81Å; G350-L354 WeakPolarHBondContact O-CA 3.49Å; G350-L354 WeakPolarHBondContact O-CB 3.38Å; G350-L354 WeakPolarHBondContact O-CD1 3.27Å; G350-L354 WeakPolarHBondContact O-CG 3.38Å; G350-L354 PolarHBondContact O-N 2.76Å |
| 351 | S | 68.4 | Low | 76.6 | Confident | 92 Ų | 92 | 59.5 Ų | 59.5 | 64% | 0.643 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.9 | -35.8 | -177 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | M349 | M349-S351 PolarHBondContact O-N 3.05Å |
| 352 | S | 65.9 | Low | 77.2 | Confident | 60 Ų | 60 | 61.6 Ų | 61.6 | 42% | 0.42 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -80.6 | -42.3 | 176.1 | 57.7 | 0 | 0 | 0 | 0 | 112.5 | M349 G350 A355 | M349-S352 PolarHBondContact O-OG 3.24Å; G350-S352 VanDerWaalsContact C-N 3.28Å; G350-S352 PolarHBondContact O-N 3.19Å; S352-A355 VanDerWaalsContact O-CB 3.28Å; S352-A355 WeakPolarHBondContact O-CB 3.2Å; S352-A355 PolarHBondContact O-N 3.21Å |
| 353 | I | 68.9 | Low | 77.9 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 5% | 0.051 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.3 | -41.4 | -178.5 | -63.2 | 174 | 0 | 0 | 0 | 111.2 | G350 A355 L406 Q423 F426 | G350-I353 PolarHBondContact O-N 2.81Å; I353-A355 PolarHBondContact O-N 3.22Å; I353-L406 HydrophobicContact CD1-CD1 4.22Å; I353-Q423 HydrophobicContact CG2-CG 4Å; I353-Q423 WeakPolarHBondContact O-CG 3.4Å; I353-Q423 PolarHBondContact O-NE2 3.27Å; I353-F426 HydrophobicContact CD1-CD2 3.97Å; I353-F426 HydrophobicContact CD1-CE2 4.47Å; I353-F426 HydrophobicContact CD1-CG 4.4Å; I353-F426 HydrophobicContact CG2-CB 4.05Å; I353-F426 HydrophobicContact CG2-CD1 4.47Å; I353-F426 HydrophobicContact CG2-CG 4.18Å |
| 354 | L | 71.4 | Confident | 78.7 | Confident | 56 Ų | 56 | 59.7 Ų | 59.7 | 29% | 0.293 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 0.5 | 179.5 | -70 | 153.4 | 0 | 0 | 0 | 113 | G350 N356 V357 F426 I427 L430 | G350-L354 WeakPolarHBondContact O-CA 3.49Å; G350-L354 WeakPolarHBondContact O-CB 3.38Å; G350-L354 WeakPolarHBondContact O-CD1 3.27Å; G350-L354 WeakPolarHBondContact O-CG 3.38Å; G350-L354 PolarHBondContact O-N 2.76Å; L354-N356 PolarHBondContact O-N 3.16Å; L354-N356 VanDerWaalsContact O-N 3.16Å; L354-V357 HydrophobicContact CB-CB 4.46Å; L354-V357 HydrophobicContact CD2-CB 4.02Å; L354-V357 HydrophobicContact CD2-CG1 4.31Å; L354-V357 HydrophobicContact CD2-CG2 3.85Å; L354-V357 WeakPolarHBondContact O-CB 3.27Å; L354-V357 PolarHBondContact O-N 2.95Å; L354-F426 HydrophobicContact CD1-CD1 4.05Å; L354-F426 HydrophobicContact CD1-CE1 3.5Å; L354-F426 HydrophobicContact CG-CD1 4.12Å; L354-F426 HydrophobicContact CG-CE1 4.05Å; L354-I427 HydrophobicContact CD2-CD1 4.47Å; L354-I427 HydrophobicContact CD2-CG1 4.11Å; L354-L430 HydrophobicContact CD1-CD1 4.47Å |
| 355 | A | 69.3 | Low | 79.3 | Confident | 53 Ų | 53 | 54.8 Ų | 54.8 | 44% | 0.438 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 122.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | S352 I353 V357 Q423 | S352-A355 VanDerWaalsContact O-CB 3.28Å; S352-A355 WeakPolarHBondContact O-CB 3.2Å; S352-A355 PolarHBondContact O-N 3.21Å; I353-A355 PolarHBondContact O-N 3.22Å; A355-V357 VanDerWaalsContact C-N 3.32Å; A355-V357 PolarHBondContact O-N 3.23Å; A355-Q423 PolarHBondContact O-NE2 3.2Å |
| 356 | N | 75.1 | Confident | 80.3 | Confident | 156 Ų | 156 | 57.4 Ų | 57.4 | 83% | 0.834 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 38.4 | -174.2 | -51.6 | -53.1 | 0 | 0 | 0 | 114.2 | L354 Q358 | L354-N356 PolarHBondContact O-N 3.16Å; L354-N356 VanDerWaalsContact O-N 3.16Å; N356-Q358 PolarHBondContact O-N 3.17Å |
| 357 | V | 84.1 | Confident | 81.4 | Confident | 48 Ų | 48 | 58.9 Ų | 58.9 | 29% | 0.291 | 34% | 0.336 | S | S | . | . | trans | -57.1 | 134.3 | 175.8 | 66.9 | 0 | 0 | 0 | 0 | 111.8 | L354 A355 I361 V362 I427 | L354-V357 HydrophobicContact CB-CB 4.46Å; L354-V357 HydrophobicContact CD2-CB 4.02Å; L354-V357 HydrophobicContact CD2-CG1 4.31Å; L354-V357 HydrophobicContact CD2-CG2 3.85Å; L354-V357 WeakPolarHBondContact O-CB 3.27Å; L354-V357 PolarHBondContact O-N 2.95Å; A355-V357 VanDerWaalsContact C-N 3.32Å; A355-V357 PolarHBondContact O-N 3.23Å; V357-I361 HydrophobicContact CG2-CG2 3.95Å; V357-V362 HydrophobicContact CG1-CG2 4.44Å; V357-V362 HydrophobicContact CG2-CG2 3.66Å; V357-I427 HydrophobicContact CG2-CD1 3.71Å | ||
| 358 | Q | 84.1 | Confident | 82.4 | Confident | 50 Ų | 50 | 50.4 Ų | 50.4 | 23% | 0.234 | 30% | 0.302 | C | S | . | . | trans | -76.7 | 128.9 | 174.2 | -69.8 | -169.1 | -5.4 | 0 | 0 | 111.2 | L230 N356 Q360 I361 V362 F420 | L230-Q358 HydrophobicContact CD1-CB 4.24Å; L230-Q358 HydrophobicContact CD1-CG 4.16Å; L230-Q358 VanDerWaalsContact CD1-OE1 3.23Å; N356-Q358 PolarHBondContact O-N 3.17Å; Q358-Q360 PolarHBondContact O-N 3.32Å; Q358-Q360 VanDerWaalsContact O-N 3.14Å; Q358-I361 HydrophobicContact CB-CG2 4.1Å; Q358-I361 WeakPolarHBondContact O-CG2 3.32Å; Q358-I361 PolarHBondContact O-N 3.28Å; Q358-I361 VanDerWaalsContact O-N 3.12Å; Q358-V362 PolarHBondContact O-N 3.45Å; Q358-F420 HydrophobicContact CG-CE2 4.38Å | ||
| 359 | P | 88.9 | Confident | 83.5 | Confident | 98 Ų | 98 | 45.7 Ų | 45.7 | 64% | 0.636 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -56.5 | -32.4 | 177.9 | -26.2 | 34 | 0 | 0 | 0 | 113.6 | V362 A363 | P359-V362 WeakPolarHBondContact O-CB 3.32Å; P359-V362 PolarHBondContact O-N 3.49Å; P359-A363 PolarHBondContact O-N 2.82Å |
| 360 | Q | 91.6 | Very high | 84.9 | Confident | 82 Ų | 82 | 48.4 Ų | 48.4 | 38% | 0.383 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 179.3 | -59.4 | 89.8 | -33 | 0 | 0 | 111.9 | L226 Q358 V362 A363 V364 | L226-Q360 HydrophobicContact CD2-CB 3.42Å; L226-Q360 VanDerWaalsContact CD2-CB 3.42Å; L226-Q360 HydrophobicContact CD2-CG 4.5Å; Q358-Q360 PolarHBondContact O-N 3.32Å; Q358-Q360 VanDerWaalsContact O-N 3.14Å; Q360-V362 VanDerWaalsContact C-N 3.33Å; Q360-A363 PolarHBondContact O-N 3.46Å; Q360-V364 PolarHBondContact O-N 3.41Å; Q360-V364 VanDerWaalsContact O-N 3.11Å |
| 361 | I | 92.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.9 | -32.2 | 177.7 | -170.3 | 64.8 | 0 | 0 | 0 | 111.3 | L226 L230 L234 V357 Q358 V364 G365 A424 I427 | L226-I361 HydrophobicContact CD1-CD1 4.02Å; L230-I361 HydrophobicContact CD1-CB 4.42Å; L230-I361 HydrophobicContact CD1-CG2 4.45Å; L230-I361 HydrophobicContact CD2-CG1 4.3Å; L230-I361 HydrophobicContact CD2-CG2 4.47Å; L234-I361 HydrophobicContact CB-CD1 4.41Å; L234-I361 HydrophobicContact CD1-CD1 4.19Å; V357-I361 HydrophobicContact CG2-CG2 3.95Å; Q358-I361 HydrophobicContact CB-CG2 4.1Å; Q358-I361 WeakPolarHBondContact O-CG2 3.32Å; Q358-I361 PolarHBondContact O-N 3.28Å; Q358-I361 VanDerWaalsContact O-N 3.12Å; I361-V364 HydrophobicContact CD1-CG1 3.77Å; I361-G365 WeakPolarHBondContact O-CA 3.39Å; I361-G365 PolarHBondContact O-N 2.85Å; I361-A424 HydrophobicContact CD1-CB 3.6Å; I361-A424 HydrophobicContact CG1-CB 4.01Å; I361-I427 HydrophobicContact CB-CD1 4.26Å; I361-I427 HydrophobicContact CG1-CD1 3.96Å; I361-I427 HydrophobicContact CG2-CD1 3.54Å |
| 362 | V | 93.3 | Very high | 87.7 | Confident | 56 Ų | 56 | 46.3 Ų | 46.3 | 34% | 0.339 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 172.6 | -179 | 0 | 0 | 0 | 0 | 110.4 | V357 Q358 P359 Q360 V364 G365 V366 I427 | V357-V362 HydrophobicContact CG1-CG2 4.44Å; V357-V362 HydrophobicContact CG2-CG2 3.66Å; Q358-V362 PolarHBondContact O-N 3.45Å; P359-V362 WeakPolarHBondContact O-CB 3.32Å; P359-V362 PolarHBondContact O-N 3.49Å; Q360-V362 VanDerWaalsContact C-N 3.33Å; V362-V364 PolarHBondContact O-N 3.45Å; V362-G365 PolarHBondContact O-N 2.6Å; V362-V366 WeakPolarHBondContact O-CG2 3.46Å; V362-V366 PolarHBondContact O-N 3.46Å; V362-V366 VanDerWaalsContact O-N 3.13Å; V362-I427 HydrophobicContact CG2-CD1 3.88Å |
| 363 | A | 93.3 | Very high | 89.1 | Confident | 58 Ų | 58 | 44.4 Ų | 44.4 | 48% | 0.479 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.7 | -47.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P359 Q360 | P359-A363 PolarHBondContact O-N 2.82Å; Q360-A363 PolarHBondContact O-N 3.46Å |
| 364 | V | 95.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -76.2 | -32.3 | 178 | 74.5 | 0 | 0 | 0 | 0 | 112.9 | A220 L224 L226 L234 Q360 I361 V362 V366 T367 V368 | A220-V364 HydrophobicContact CB-CG2 3.52Å; L224-V364 HydrophobicContact CD1-CB 3.7Å; L224-V364 HydrophobicContact CD1-CG1 4.45Å; L224-V364 HydrophobicContact CD1-CG2 4.25Å; L226-V364 HydrophobicContact CD1-CG1 4.14Å; L234-V364 HydrophobicContact CD1-CG1 4.26Å; L234-V364 HydrophobicContact CD2-CG1 3.78Å; L234-V364 HydrophobicContact CD2-CG2 3.92Å; Q360-V364 PolarHBondContact O-N 3.41Å; Q360-V364 VanDerWaalsContact O-N 3.11Å; I361-V364 HydrophobicContact CD1-CG1 3.77Å; V362-V364 PolarHBondContact O-N 3.45Å; V364-V366 VanDerWaalsContact C-N 3.25Å; V364-V366 PolarHBondContact O-N 3.49Å; V364-T367 WeakPolarHBondContact CA-OG1 3.32Å; V364-T367 PolarHBondContact O-N 2.9Å; V364-T367 VanDerWaalsContact O-N 3.07Å; V364-T367 PolarHBondContact O-OG1 2.96Å; V364-V368 WeakPolarHBondContact O-CG2 3.45Å; V364-V368 PolarHBondContact O-N 3.27Å |
| 365 | G | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.4 | -35.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I361 V362 T367 P369 S431 | I361-G365 WeakPolarHBondContact O-CA 3.39Å; I361-G365 PolarHBondContact O-N 2.85Å; V362-G365 PolarHBondContact O-N 2.6Å; G365-T367 VanDerWaalsContact C-N 3.33Å; G365-P369 WeakPolarHBondContact O-CD 3.38Å; G365-S431 PolarHBondContact O-OG 2.96Å |
| 366 | V | 94.4 | Very high | 93 | Very high | 63 Ų | 63 | 46.1 Ų | 46.1 | 38% | 0.382 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.2 | -31.5 | 173.2 | 173.6 | 0 | 0 | 0 | 0 | 112.6 | V362 V364 S431 | V362-V366 WeakPolarHBondContact O-CG2 3.46Å; V362-V366 PolarHBondContact O-N 3.46Å; V362-V366 VanDerWaalsContact O-N 3.13Å; V364-V366 VanDerWaalsContact C-N 3.25Å; V364-V366 PolarHBondContact O-N 3.49Å; V366-S431 WeakPolarHBondContact CA-OG 3.35Å |
| 367 | T | 96.3 | Very high | 94.1 | Very high | 55 Ų | 55 | 40.4 Ų | 40.4 | 34% | 0.337 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -84.1 | -18.3 | -177.5 | 54.3 | 0 | 0 | 0 | 0 | 113 | Y216 V364 G365 L371 | Y216-T367 WeakPolarHBondContact OH-CB 3.5Å; Y216-T367 PolarHBondContact OH-OG1 2.92Å; V364-T367 WeakPolarHBondContact CA-OG1 3.32Å; V364-T367 PolarHBondContact O-N 2.9Å; V364-T367 VanDerWaalsContact O-N 3.07Å; V364-T367 PolarHBondContact O-OG1 2.96Å; G365-T367 VanDerWaalsContact C-N 3.33Å; T367-L371 VanDerWaalsContact O-CB 3.27Å; T367-L371 WeakPolarHBondContact O-CB 3.45Å; T367-L371 PolarHBondContact O-N 3.42Å |
| 368 | V | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.1 | -54.3 | 179.8 | 168.6 | 0 | 0 | 0 | 0 | 112.3 | M213 Y216 L234 V364 L371 G372 V428 | M213-V368 HydrophobicContact CE-CG1 4.3Å; Y216-V368 HydrophobicContact CE1-CG2 3.81Å; L234-V368 HydrophobicContact CD1-CG2 3.84Å; V364-V368 WeakPolarHBondContact O-CG2 3.45Å; V364-V368 PolarHBondContact O-N 3.27Å; V368-L371 PolarHBondContact O-N 3.34Å; V368-G372 PolarHBondContact O-N 3.04Å; V368-V428 HydrophobicContact CB-CG1 4.21Å; V368-V428 HydrophobicContact CB-CG2 4.06Å; V368-V428 HydrophobicContact CG1-CG1 3.76Å; V368-V428 HydrophobicContact CG1-CG2 4.27Å; V368-V428 HydrophobicContact CG2-CG2 4.01Å |
| 369 | P | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.5 | -36.8 | -175.6 | -16.8 | 33.8 | 0 | 0 | 0 | 111.7 | G365 L371 G372 L373 G398 V428 S431 E435 | G365-P369 WeakPolarHBondContact O-CD 3.38Å; P369-L371 PolarHBondContact O-N 3.14Å; P369-G372 PolarHBondContact O-N 3.13Å; P369-L373 WeakPolarHBondContact O-CB 3.31Å; P369-L373 WeakPolarHBondContact O-CG 3.48Å; P369-L373 PolarHBondContact O-N 3.36Å; P369-G398 WeakPolarHBondContact CA-O 3.29Å; P369-G398 WeakPolarHBondContact CB-O 3.32Å; P369-V428 HydrophobicContact CG-CG1 4.38Å; P369-S431 WeakPolarHBondContact CD-OG 3.28Å; P369-S431 VanDerWaalsContact CG-OG 3.29Å; P369-S431 WeakPolarHBondContact CG-OG 3.16Å; P369-E435 WeakPolarHBondContact CB-OE2 3.45Å |
| 370 | L | 96.1 | Very high | 95.6 | Very high | 75 Ų | 75 | 34.9 Ų | 34.9 | 39% | 0.393 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.6 | -48.5 | 172.1 | -64.4 | -179.6 | 0 | 0 | 0 | 111.9 | L373 L374 E435 | L370-L373 WeakPolarHBondContact O-CB 3.5Å; L370-L373 PolarHBondContact O-N 3.41Å; L370-L374 VanDerWaalsContact O-CG 3.25Å; L370-L374 WeakPolarHBondContact O-CG 3.14Å; L370-L374 PolarHBondContact O-N 2.78Å; L370-E435 HydrophobicContact CD2-CG 4.26Å; L370-E435 WeakPolarHBondContact CD2-OE2 3.32Å; L370-E435 WeakPolarHBondContact CG-OE2 3.12Å; L370-E435 PolarHBondContact N-OE2 2.64Å |
| 371 | L | 97.2 | Very high | 95.9 | Very high | 49 Ų | 49 | 37.8 Ų | 37.8 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64 | -44 | 178.5 | -170.2 | 92.7 | 0 | 0 | 0 | 110.9 | M213 Y216 T367 V368 P369 L373 L374 V375 | M213-L371 HydrophobicContact SD-CD2 4.29Å; Y216-L371 HydrophobicContact CD1-CD2 3.46Å; Y216-L371 VanDerWaalsContact CD1-CD2 3.46Å; Y216-L371 HydrophobicContact CD2-CD1 4.4Å; Y216-L371 HydrophobicContact CD2-CD2 3.29Å; Y216-L371 HydrophobicContact CD2-CG 4.42Å; Y216-L371 HydrophobicContact CE1-CD2 3.88Å; Y216-L371 HydrophobicContact CE2-CD1 4.34Å; Y216-L371 HydrophobicContact CE2-CD2 3.73Å; Y216-L371 HydrophobicContact CG-CD2 3.12Å; T367-L371 VanDerWaalsContact O-CB 3.27Å; T367-L371 WeakPolarHBondContact O-CB 3.45Å; T367-L371 PolarHBondContact O-N 3.42Å; V368-L371 PolarHBondContact O-N 3.34Å; P369-L371 PolarHBondContact O-N 3.14Å; L371-L373 VanDerWaalsContact C-N 3.33Å; L371-L373 PolarHBondContact O-N 3.37Å; L371-L374 PolarHBondContact O-N 3.31Å; L371-L374 VanDerWaalsContact O-N 3.16Å; L371-V375 HydrophobicContact CG-CG2 4.12Å; L371-V375 WeakPolarHBondContact O-CB 3.36Å; L371-V375 VanDerWaalsContact O-CG2 3.32Å; L371-V375 WeakPolarHBondContact O-CG2 3.27Å; L371-V375 PolarHBondContact O-N 3.21Å |
| 372 | G | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | M213 V368 P369 L374 G376 V397 | M213-G372 VanDerWaalsContact SD-CA 3.55Å; V368-G372 PolarHBondContact O-N 3.04Å; P369-G372 PolarHBondContact O-N 3.13Å; G372-L374 PolarHBondContact O-N 3.29Å; G372-G376 PolarHBondContact O-N 3.29Å; G372-V397 WeakPolarHBondContact O-CG1 3.36Å |
| 373 | L | 96.9 | Very high | 96.1 | Very high | 20 Ų | 20 | 42.3 Ų | 42.3 | 11% | 0.105 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.1 | -49.9 | 171.5 | -79.3 | 177.4 | 0 | 0 | 0 | 111.4 | P369 L370 L371 A377 S394 I395 M436 I439 | P369-L373 WeakPolarHBondContact O-CB 3.31Å; P369-L373 WeakPolarHBondContact O-CG 3.48Å; P369-L373 PolarHBondContact O-N 3.36Å; L370-L373 WeakPolarHBondContact O-CB 3.5Å; L370-L373 PolarHBondContact O-N 3.41Å; L371-L373 VanDerWaalsContact C-N 3.33Å; L371-L373 PolarHBondContact O-N 3.37Å; L373-A377 WeakPolarHBondContact O-CB 3.38Å; L373-A377 PolarHBondContact O-N 3.11Å; L373-S394 WeakPolarHBondContact CA-OG 3.32Å; L373-S394 WeakPolarHBondContact CD2-OG 3.3Å; L373-S394 WeakPolarHBondContact O-CB 3.46Å; L373-S394 PolarHBondContact O-OG 2.75Å; L373-I395 HydrophobicContact CD2-CG1 4.3Å; L373-M436 HydrophobicContact CD1-CE 3.73Å; L373-M436 HydrophobicContact CD2-CE 3.38Å; L373-M436 HydrophobicContact CD2-SD 4.3Å; L373-M436 HydrophobicContact CG-CE 3.6Å; L373-I439 HydrophobicContact CD1-CD1 3.59Å |
| 374 | L | 97.4 | Very high | 96.2 | Very high | 125 Ų | 125 | 42.2 Ų | 42.2 | 65% | 0.654 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64.8 | -47.1 | -178.5 | -70.9 | 172.2 | 0 | 0 | 0 | 112.2 | L370 L371 G372 A377 G378 | L370-L374 VanDerWaalsContact O-CG 3.25Å; L370-L374 WeakPolarHBondContact O-CG 3.14Å; L370-L374 PolarHBondContact O-N 2.78Å; L371-L374 PolarHBondContact O-N 3.31Å; L371-L374 VanDerWaalsContact O-N 3.16Å; G372-L374 PolarHBondContact O-N 3.29Å; L374-A377 PolarHBondContact O-N 3.27Å; L374-G378 PolarHBondContact O-N 3.29Å |
| 375 | V | 97.4 | Very high | 96.1 | Very high | 31 Ų | 31 | 42.9 Ų | 42.9 | 19% | 0.188 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.2 | -50.2 | 178.7 | 169.2 | 0 | 0 | 0 | 0 | 110.1 | A208 V212 L371 A377 G378 L379 | A208-V375 HydrophobicContact CB-CG1 4.02Å; V212-V375 HydrophobicContact CB-CG1 4.24Å; V212-V375 HydrophobicContact CG1-CG1 3.89Å; V212-V375 HydrophobicContact CG1-CG2 4.09Å; V212-V375 HydrophobicContact CG2-CG1 4.47Å; L371-V375 HydrophobicContact CG-CG2 4.12Å; L371-V375 WeakPolarHBondContact O-CB 3.36Å; L371-V375 VanDerWaalsContact O-CG2 3.32Å; L371-V375 WeakPolarHBondContact O-CG2 3.27Å; L371-V375 PolarHBondContact O-N 3.21Å; V375-A377 VanDerWaalsContact C-N 3.34Å; V375-A377 PolarHBondContact O-N 3.37Å; V375-G378 PolarHBondContact O-N 3.4Å; V375-L379 HydrophobicContact CG1-CD1 3.9Å; V375-L379 HydrophobicContact CG1-CG 4.33Å; V375-L379 WeakPolarHBondContact O-CB 3.46Å; V375-L379 WeakPolarHBondContact O-CG 3.02Å; V375-L379 PolarHBondContact O-N 3.28Å |
| 376 | G | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | G372 A380 | G372-G376 PolarHBondContact O-N 3.29Å; G376-A380 WeakPolarHBondContact O-CB 3.45Å; G376-A380 PolarHBondContact O-N 3.49Å |
| 377 | A | 96.5 | Very high | 96.2 | Very high | 36 Ų | 36 | 47.7 Ų | 47.7 | 30% | 0.298 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L373 L374 V375 K381 | L373-A377 WeakPolarHBondContact O-CB 3.38Å; L373-A377 PolarHBondContact O-N 3.11Å; L374-A377 PolarHBondContact O-N 3.27Å; V375-A377 VanDerWaalsContact C-N 3.34Å; V375-A377 PolarHBondContact O-N 3.37Å; A377-K381 WeakPolarHBondContact O-CB 3.28Å; A377-K381 PolarHBondContact O-N 2.99Å |
| 378 | G | 97.3 | Very high | 96.1 | Very high | 33 Ų | 33 | 47.9 Ų | 47.9 | 34% | 0.34 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65 | -48.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L374 V375 K381 T382 | L374-G378 PolarHBondContact O-N 3.29Å; V375-G378 PolarHBondContact O-N 3.4Å; G378-K381 PolarHBondContact O-N 2.98Å; G378-T382 WeakPolarHBondContact O-CG2 3.16Å; G378-T382 PolarHBondContact O-N 3.08Å; G378-T382 PolarHBondContact O-OG1 3.36Å |
| 379 | L | 96.6 | Very high | 96 | Very high | 46 Ų | 46 | 50.3 Ų | 50.3 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 176.7 | -68.6 | 180 | 0 | 0 | 0 | 111.7 | L204 A208 V375 K381 T382 A383 | L204-L379 HydrophobicContact CD2-CB 4.4Å; A208-L379 HydrophobicContact CB-CD1 3.79Å; V375-L379 HydrophobicContact CG1-CD1 3.9Å; V375-L379 HydrophobicContact CG1-CG 4.33Å; V375-L379 WeakPolarHBondContact O-CB 3.46Å; V375-L379 WeakPolarHBondContact O-CG 3.02Å; V375-L379 PolarHBondContact O-N 3.28Å; L379-K381 VanDerWaalsContact C-N 3.3Å; L379-K381 PolarHBondContact O-N 3.18Å; L379-T382 WeakPolarHBondContact CA-OG1 3.43Å; L379-T382 PolarHBondContact O-N 3.23Å; L379-T382 PolarHBondContact O-OG1 3.19Å; L379-A383 WeakPolarHBondContact O-CB 3.23Å; L379-A383 PolarHBondContact O-N 2.98Å |
| 380 | A | 96.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.7 | -33.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G376 G384 L385 R390 V393 | G376-A380 WeakPolarHBondContact O-CB 3.45Å; G376-A380 PolarHBondContact O-N 3.49Å; A380-G384 PolarHBondContact O-N 3.02Å; A380-L385 HydrophobicContact CB-CD1 3.88Å; A380-L385 HydrophobicContact CB-CG 4.49Å; A380-L385 WeakPolarHBondContact O-CB 3.47Å; A380-L385 PolarHBondContact O-N 3.29Å; A380-L385 VanDerWaalsContact O-N 3.09Å; A380-R390 HydrophobicContact CB-CB 4.02Å; A380-R390 HydrophobicContact CB-CG 3.81Å; A380-V393 HydrophobicContact CB-CB 3.97Å; A380-V393 HydrophobicContact CB-CG1 4.07Å; A380-V393 HydrophobicContact CB-CG2 4.38Å |
| 381 | K | 96.3 | Very high | 96.1 | Very high | 144 Ų | 144 | 53.8 Ų | 53.8 | 63% | 0.626 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -69.3 | -46.9 | 176 | -178 | 179.6 | 178.7 | -176.2 | 0 | 111.7 | A377 G378 L379 A383 G384 | A377-K381 WeakPolarHBondContact O-CB 3.28Å; A377-K381 PolarHBondContact O-N 2.99Å; G378-K381 PolarHBondContact O-N 2.98Å; L379-K381 VanDerWaalsContact C-N 3.3Å; L379-K381 PolarHBondContact O-N 3.18Å; K381-A383 VanDerWaalsContact C-N 3.29Å; K381-A383 PolarHBondContact O-N 3.01Å; K381-G384 PolarHBondContact O-N 2.82Å |
| 382 | T | 96.3 | Very high | 96.1 | Very high | 118 Ų | 118 | 51.5 Ų | 51.5 | 72% | 0.724 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.4 | -33.4 | 179.4 | 50.5 | 0 | 0 | 0 | 0 | 112.1 | G378 L379 G384 | G378-T382 WeakPolarHBondContact O-CG2 3.16Å; G378-T382 PolarHBondContact O-N 3.08Å; G378-T382 PolarHBondContact O-OG1 3.36Å; L379-T382 WeakPolarHBondContact CA-OG1 3.43Å; L379-T382 PolarHBondContact O-N 3.23Å; L379-T382 PolarHBondContact O-OG1 3.19Å; T382-G384 PolarHBondContact O-N 2.95Å |
| 383 | A | 94.5 | Very high | 96.1 | Very high | 33 Ų | 33 | 51.5 Ų | 51.5 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 3.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | M200 L204 L379 K381 L385 | M200-A383 HydrophobicContact CE-CB 3.94Å; M200-A383 HydrophobicContact CG-CB 4.42Å; L204-A383 HydrophobicContact CD1-CB 3.33Å; L379-A383 WeakPolarHBondContact O-CB 3.23Å; L379-A383 PolarHBondContact O-N 2.98Å; K381-A383 VanDerWaalsContact C-N 3.29Å; K381-A383 PolarHBondContact O-N 3.01Å; A383-L385 VanDerWaalsContact C-N 3.31Å; A383-L385 HydrophobicContact CB-CG 4.39Å; A383-L385 PolarHBondContact O-N 3.07Å |
| 384 | G | 94.8 | Very high | 96.1 | Very high | 55 Ų | 55 | 51.2 Ų | 51.2 | 57% | 0.567 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 19.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A380 K381 T382 | A380-G384 PolarHBondContact O-N 3.02Å; K381-G384 PolarHBondContact O-N 2.82Å; T382-G384 PolarHBondContact O-N 2.95Å |
| 385 | L | 94.9 | Very high | 96.1 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 9% | 0.089 | 27% | 0.272 | C | S | . | . | trans | -63.5 | 158.1 | -178.3 | -61.4 | -174.3 | 0 | 0 | 0 | 112.4 | M200 A201 L204 A380 A383 Q389 R390 V393 | M200-L385 HydrophobicContact CG-CD2 4.5Å; A201-L385 HydrophobicContact CB-CD1 3.71Å; L204-L385 HydrophobicContact CD1-CD1 4.14Å; A380-L385 HydrophobicContact CB-CD1 3.88Å; A380-L385 HydrophobicContact CB-CG 4.49Å; A380-L385 WeakPolarHBondContact O-CB 3.47Å; A380-L385 PolarHBondContact O-N 3.29Å; A380-L385 VanDerWaalsContact O-N 3.09Å; A383-L385 VanDerWaalsContact C-N 3.31Å; A383-L385 HydrophobicContact CB-CG 4.39Å; A383-L385 PolarHBondContact O-N 3.07Å; L385-Q389 HydrophobicContact CB-CB 4.13Å; L385-Q389 HydrophobicContact CD1-CB 4.48Å; L385-R390 HydrophobicContact CB-CG 3.99Å; L385-R390 PolarHBondContact O-NE 3.32Å; L385-R390 PolarHBondContact O-NH2 3.06Å; L385-V393 HydrophobicContact CD1-CG2 4.11Å | ||
| 386 | A | 94.7 | Very high | 96 | Very high | 55 Ų | 55 | 44 Ų | 44 | 46% | 0.455 | 26% | 0.263 | S | S | . | . | trans | -68.6 | 155.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q389 R390 | A386-Q389 WeakPolarHBondContact O-CA 3.4Å; A386-Q389 WeakPolarHBondContact O-CB 3.49Å; A386-Q389 PolarHBondContact O-N 2.87Å; A386-R390 WeakPolarHBondContact O-CG 3.2Å; A386-R390 PolarHBondContact O-N 3.4Å | ||
| 387 | L | 95.3 | Very high | 96 | Very high | 110 Ų | 110 | 44 Ų | 44 | 58% | 0.576 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -53.2 | -43.6 | -177.2 | -179 | 65.2 | 0 | 0 | 0 | 114.1 | Q389 R390 K391 | L387-Q389 VanDerWaalsContact C-N 3.32Å; L387-Q389 PolarHBondContact O-N 3.05Å; L387-R390 PolarHBondContact O-N 3.47Å; L387-K391 WeakPolarHBondContact O-CG 3.16Å; L387-K391 PolarHBondContact O-N 3.42Å; L387-K391 VanDerWaalsContact O-N 3.07Å |
| 388 | P | 94.8 | Very high | 95.9 | Very high | 59 Ų | 59 | 42.3 Ų | 42.3 | 38% | 0.383 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.4 | -40 | 175.9 | -23.8 | 35.4 | 0 | 0 | 0 | 112.6 | G255 D256 K391 T392 | G255-P388 WeakPolarHBondContact CA-O 3.17Å; D256-P388 HydrophobicContact CB-CB 4.36Å; D256-P388 PolarHBondContact N-O 3.39Å; P388-K391 PolarHBondContact O-N 3.4Å; P388-T392 PolarHBondContact O-N 3.35Å; P388-T392 PolarHBondContact O-OG1 3.28Å; P388-T392 VanDerWaalsContact O-OG1 3.08Å |
| 389 | Q | 95.4 | Very high | 95.7 | Very high | 51 Ų | 51 | 41.1 Ų | 41.1 | 24% | 0.238 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.5 | -38.9 | 177.8 | -63.5 | -179.6 | -34.7 | 0 | 0 | 111.9 | L259 L385 A386 L387 K391 T392 V393 | L259-Q389 HydrophobicContact CD2-CB 3.82Å; L259-Q389 HydrophobicContact CD2-CG 3.87Å; L385-Q389 HydrophobicContact CB-CB 4.13Å; L385-Q389 HydrophobicContact CD1-CB 4.48Å; A386-Q389 WeakPolarHBondContact O-CA 3.4Å; A386-Q389 WeakPolarHBondContact O-CB 3.49Å; A386-Q389 PolarHBondContact O-N 2.87Å; L387-Q389 VanDerWaalsContact C-N 3.32Å; L387-Q389 PolarHBondContact O-N 3.05Å; Q389-K391 VanDerWaalsContact C-N 3.35Å; Q389-K391 PolarHBondContact O-N 3.37Å; Q389-T392 PolarHBondContact O-N 3.5Å; Q389-V393 WeakPolarHBondContact O-CG2 3.49Å; Q389-V393 PolarHBondContact O-N 3.15Å |
| 390 | R | 96.6 | Very high | 95.5 | Very high | 77 Ų | 77 | 39.3 Ų | 39.3 | 29% | 0.291 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.1 | -44.3 | 175 | -66.6 | -178.7 | -169.6 | 167.8 | 8.6 | 112.1 | A380 L385 A386 L387 S394 | A380-R390 HydrophobicContact CB-CB 4.02Å; A380-R390 HydrophobicContact CB-CG 3.81Å; L385-R390 HydrophobicContact CB-CG 3.99Å; L385-R390 PolarHBondContact O-NE 3.32Å; L385-R390 PolarHBondContact O-NH2 3.06Å; A386-R390 WeakPolarHBondContact O-CG 3.2Å; A386-R390 PolarHBondContact O-N 3.4Å; L387-R390 PolarHBondContact O-N 3.47Å; R390-S394 VanDerWaalsContact O-CB 3.25Å; R390-S394 WeakPolarHBondContact O-CB 3.34Å; R390-S394 PolarHBondContact O-N 2.88Å |
| 391 | K | 96.7 | Very high | 95.2 | Very high | 71 Ų | 71 | 40.3 Ų | 40.3 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.9 | -46.7 | 175.1 | -72.5 | 177.9 | 174.9 | -178 | 0 | 111 | L253 L387 P388 Q389 S394 I395 | L253-K391 WeakPolarHBondContact O-CD 2.96Å; L253-K391 PolarHBondContact O-NZ 2.67Å; L387-K391 WeakPolarHBondContact O-CG 3.16Å; L387-K391 PolarHBondContact O-N 3.42Å; L387-K391 VanDerWaalsContact O-N 3.07Å; P388-K391 PolarHBondContact O-N 3.4Å; Q389-K391 VanDerWaalsContact C-N 3.35Å; Q389-K391 PolarHBondContact O-N 3.37Å; K391-S394 WeakPolarHBondContact O-CB 3.42Å; K391-S394 PolarHBondContact O-N 3.38Å; K391-I395 WeakPolarHBondContact O-CB 3.38Å; K391-I395 WeakPolarHBondContact O-CD1 3.5Å; K391-I395 WeakPolarHBondContact O-CG1 3.32Å; K391-I395 PolarHBondContact O-N 2.89Å |
| 392 | T | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.8 | -49 | 178.5 | -62.7 | 0 | 0 | 0 | 0 | 112.5 | D256 L259 A260 M263 P388 Q389 S394 I395 E396 | D256-T392 WeakPolarHBondContact CA-OG1 3.34Å; D256-T392 PolarHBondContact N-OG1 3.11Å; D256-T392 WeakPolarHBondContact O-CG2 3.41Å; D256-T392 PolarHBondContact O-OG1 3.37Å; L259-T392 HydrophobicContact CB-CG2 4.03Å; L259-T392 HydrophobicContact CD2-CG2 3.88Å; L259-T392 HydrophobicContact CG-CG2 3.7Å; A260-T392 VanDerWaalsContact CA-CG2 3.46Å; A260-T392 HydrophobicContact CB-CG2 3.6Å; M263-T392 HydrophobicContact SD-CG2 4.16Å; P388-T392 PolarHBondContact O-N 3.35Å; P388-T392 PolarHBondContact O-OG1 3.28Å; P388-T392 VanDerWaalsContact O-OG1 3.08Å; Q389-T392 PolarHBondContact O-N 3.5Å; T392-S394 VanDerWaalsContact C-N 3.32Å; T392-S394 PolarHBondContact O-N 3.08Å; T392-I395 PolarHBondContact O-N 2.77Å; T392-E396 HydrophobicContact CG2-CG 4.36Å; T392-E396 PolarHBondContact O-N 3.12Å |
| 393 | V | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.5 | -42.4 | 178.8 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | A201 L259 M263 A380 L385 Q389 V397 | A201-V393 HydrophobicContact CB-CG2 4.04Å; L259-V393 HydrophobicContact CD2-CG2 4.4Å; M263-V393 HydrophobicContact CE-CB 4.35Å; M263-V393 HydrophobicContact CE-CG1 4.3Å; M263-V393 HydrophobicContact CE-CG2 3.99Å; M263-V393 HydrophobicContact SD-CG2 3.91Å; A380-V393 HydrophobicContact CB-CB 3.97Å; A380-V393 HydrophobicContact CB-CG1 4.07Å; A380-V393 HydrophobicContact CB-CG2 4.38Å; L385-V393 HydrophobicContact CD1-CG2 4.11Å; Q389-V393 WeakPolarHBondContact O-CG2 3.49Å; Q389-V393 PolarHBondContact O-N 3.15Å; V393-V397 HydrophobicContact CG1-CG2 4.42Å; V393-V397 WeakPolarHBondContact O-CB 3.49Å; V393-V397 WeakPolarHBondContact O-CG2 3.39Å; V393-V397 PolarHBondContact O-N 2.82Å; V393-V397 VanDerWaalsContact O-N 3.11Å |
| 394 | S | 97.1 | Very high | 93.6 | Very high | 14 Ų | 14 | 31.9 Ų | 31.9 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.6 | -49.5 | 174 | -179.7 | 0 | 0 | 0 | 0 | 112.3 | L373 R390 K391 T392 V397 G398 | L373-S394 WeakPolarHBondContact CA-OG 3.32Å; L373-S394 WeakPolarHBondContact CD2-OG 3.3Å; L373-S394 WeakPolarHBondContact O-CB 3.46Å; L373-S394 PolarHBondContact O-OG 2.75Å; R390-S394 VanDerWaalsContact O-CB 3.25Å; R390-S394 WeakPolarHBondContact O-CB 3.34Å; R390-S394 PolarHBondContact O-N 2.88Å; K391-S394 WeakPolarHBondContact O-CB 3.42Å; K391-S394 PolarHBondContact O-N 3.38Å; T392-S394 VanDerWaalsContact C-N 3.32Å; T392-S394 PolarHBondContact O-N 3.08Å; S394-V397 PolarHBondContact O-N 2.99Å; S394-G398 PolarHBondContact O-N 2.59Å |
| 395 | I | 96.9 | Very high | 93.2 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.5 | -44.7 | -178.3 | -67.7 | 164.3 | 0 | 0 | 0 | 111.5 | G246 L253 L373 K391 T392 V397 G398 V399 | G246-I395 WeakPolarHBondContact O-CG2 3.42Å; L253-I395 HydrophobicContact CB-CD1 4.33Å; L253-I395 HydrophobicContact CD1-CD1 3.8Å; L253-I395 HydrophobicContact CD1-CG1 4.49Å; L373-I395 HydrophobicContact CD2-CG1 4.3Å; K391-I395 WeakPolarHBondContact O-CB 3.38Å; K391-I395 WeakPolarHBondContact O-CD1 3.5Å; K391-I395 WeakPolarHBondContact O-CG1 3.32Å; K391-I395 PolarHBondContact O-N 2.89Å; T392-I395 PolarHBondContact O-N 2.77Å; I395-V397 VanDerWaalsContact C-N 3.29Å; I395-V397 PolarHBondContact O-N 2.96Å; I395-G398 PolarHBondContact O-N 3.05Å; I395-V399 HydrophobicContact CG2-CG2 3.96Å; I395-V399 VanDerWaalsContact O-CB 3.3Å; I395-V399 WeakPolarHBondContact O-CB 3.25Å; I395-V399 WeakPolarHBondContact O-CG2 3.3Å; I395-V399 PolarHBondContact O-N 3.41Å |
| 396 | E | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.9 | -32.1 | -179.6 | -77.6 | -65.7 | 127.7 | 0 | 0 | 112.6 | G246 Y247 A260 M263 T264 T392 | G246-E396 WeakPolarHBondContact CA-OE1 3.43Å; Y247-E396 PolarHBondContact N-OE1 3.18Å; A260-E396 HydrophobicContact CB-CG 4.42Å; M263-E396 HydrophobicContact CB-CB 4.39Å; M263-E396 HydrophobicContact CB-CG 3.95Å; M263-E396 HydrophobicContact CE-CB 4.15Å; M263-E396 HydrophobicContact SD-CB 4.24Å; M263-E396 HydrophobicContact SD-CG 4.19Å; T264-E396 PolarHBondContact N-OE2 3.15Å; T264-E396 VanDerWaalsContact OG1-CD 3.29Å; T264-E396 PolarHBondContact OG1-OE1 3Å; T264-E396 PolarHBondContact OG1-OE2 2.6Å; T392-E396 HydrophobicContact CG2-CG 4.36Å; T392-E396 PolarHBondContact O-N 3.12Å |
| 397 | V | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -75.6 | -41.4 | 174.4 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | A208 M213 G372 V393 S394 I395 | A208-V397 HydrophobicContact CB-CB 4.36Å; A208-V397 HydrophobicContact CB-CG1 3.75Å; A208-V397 HydrophobicContact CB-CG2 3.57Å; M213-V397 HydrophobicContact CE-CG1 4.37Å; M213-V397 WeakPolarHBondContact CE-O 3.1Å; M213-V397 HydrophobicContact CG-CG1 3.99Å; M213-V397 HydrophobicContact SD-CG1 4.19Å; G372-V397 WeakPolarHBondContact O-CG1 3.36Å; V393-V397 HydrophobicContact CG1-CG2 4.42Å; V393-V397 WeakPolarHBondContact O-CB 3.49Å; V393-V397 WeakPolarHBondContact O-CG2 3.39Å; V393-V397 PolarHBondContact O-N 2.82Å; V393-V397 VanDerWaalsContact O-N 3.11Å; S394-V397 PolarHBondContact O-N 2.99Å; I395-V397 VanDerWaalsContact C-N 3.29Å; I395-V397 PolarHBondContact O-N 2.96Å |
| 398 | G | 94.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -74 | -33.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.9 | P369 S394 I395 | P369-G398 WeakPolarHBondContact CA-O 3.29Å; P369-G398 WeakPolarHBondContact CB-O 3.32Å; S394-G398 PolarHBondContact O-N 2.59Å; I395-G398 PolarHBondContact O-N 3.05Å |
| 399 | V | 94.1 | Very high | 90.3 | Very high | 8 Ų | 8 | 19.2 Ų | 19.2 | 5% | 0.048 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -97.2 | 97.1 | -179.9 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | G243 Y249 I395 M436 | G243-V399 PolarHBondContact N-O 3.31Å; Y249-V399 HydrophobicContact CD2-CG2 4Å; Y249-V399 HydrophobicContact CE2-CG2 4.39Å; I395-V399 HydrophobicContact CG2-CG2 3.96Å; I395-V399 VanDerWaalsContact O-CB 3.3Å; I395-V399 WeakPolarHBondContact O-CB 3.25Å; I395-V399 WeakPolarHBondContact O-CG2 3.3Å; I395-V399 PolarHBondContact O-N 3.41Å; V399-M436 HydrophobicContact CG2-CE 3.28Å; V399-M436 HydrophobicContact CG2-CG 3.83Å; V399-M436 HydrophobicContact CG2-SD 3.89Å |
| 400 | Q | 91.9 | Very high | 89.2 | Confident | 8 Ų | 8 | 17.2 Ų | 17.2 | 4% | 0.037 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -95.7 | 160.3 | 179.9 | -60.5 | -171.9 | 69.4 | 0 | 0 | 112 | M213 T237 C238 S402 | M213-Q400 VanDerWaalsContact CE-NE2 3.33Å; T237-Q400 PolarHBondContact O-OE1 3.28Å; C238-Q400 PolarHBondContact O-OE1 2.93Å; Q400-S402 VanDerWaalsContact C-N 3.28Å; Q400-S402 PolarHBondContact O-N 2.72Å |
| 401 | N | 91.1 | Very high | 87.8 | Confident | 20 Ų | 20 | 14.1 Ų | 14.1 | 11% | 0.107 | 8% | 0.075 | C | C | . | . | trans | -82 | 73.3 | 176.9 | -167.3 | -11.9 | 0 | 0 | 0 | 111.5 | A240 P241 L403 L404 A405 | A240-N401 HydrophobicContact CB-CB 4.37Å; P241-N401 HydrophobicContact CG-CB 4.25Å; P241-N401 VanDerWaalsContact O-CB 3.3Å; P241-N401 WeakPolarHBondContact O-CB 3.28Å; P241-N401 PolarHBondContact O-N 3.11Å; N401-L403 PolarHBondContact O-N 3.28Å; N401-L404 HydrophobicContact CB-CB 4.24Å; N401-L404 WeakPolarHBondContact O-CB 3.41Å; N401-L404 PolarHBondContact O-N 3.28Å; N401-L404 VanDerWaalsContact O-N 3.16Å; N401-L404 PolarHBondContact OD1-N 3.37Å; N401-A405 PolarHBondContact O-N 2.75Å | ||
| 402 | S | 88.8 | Confident | 86.4 | Confident | 8 Ų | 8 | 12.2 Ų | 12.2 | 6% | 0.056 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.1 | -25.5 | 180 | -56.2 | 0 | 0 | 0 | 0 | 114 | Q400 A405 L406 P425 | Q400-S402 VanDerWaalsContact C-N 3.28Å; Q400-S402 PolarHBondContact O-N 2.72Å; S402-A405 PolarHBondContact O-N 3.01Å; S402-L406 WeakPolarHBondContact O-CB 3.47Å; S402-L406 PolarHBondContact O-N 3.5Å; S402-P425 VanDerWaalsContact CB-O 3.24Å; S402-P425 WeakPolarHBondContact CB-O 3.23Å; S402-P425 WeakPolarHBondContact O-CB 3.31Å |
| 403 | L | 82.2 | Confident | 84.9 | Confident | 105 Ų | 105 | 13.8 Ų | 13.8 | 55% | 0.55 | 8% | 0.077 | S | C | . | . | H | α-helix | trans | -67.2 | -38.9 | 175.2 | -70.3 | 176.7 | 0 | 0 | 0 | 111.6 | F163 N401 A405 L406 A407 | F163-L403 HydrophobicContact CZ-CD2 4.23Å; N401-L403 PolarHBondContact O-N 3.28Å; L403-A405 VanDerWaalsContact C-N 3.34Å; L403-L406 PolarHBondContact O-N 2.68Å; L403-A407 WeakPolarHBondContact O-CB 3.4Å; L403-A407 PolarHBondContact O-N 3.4Å |
| 404 | L | 81.9 | Confident | 83.4 | Confident | 6 Ų | 6 | 19.4 Ų | 19.4 | 3% | 0.031 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64 | -42.5 | 173.2 | 177.9 | 62.7 | 0 | 0 | 0 | 110.8 | P241 M275 K298 I299 T302 N401 A407 V408 | P241-L404 HydrophobicContact CG-CD2 3.88Å; M275-L404 HydrophobicContact CE-CG 4.46Å; M275-L404 HydrophobicContact SD-CD2 3.89Å; M275-L404 HydrophobicContact SD-CG 4.37Å; K298-L404 HydrophobicContact CB-CD1 4.38Å; I299-L404 HydrophobicContact CG1-CD1 4Å; I299-L404 HydrophobicContact CG1-CD2 4.11Å; T302-L404 HydrophobicContact CG2-CD1 4.44Å; N401-L404 HydrophobicContact CB-CB 4.24Å; N401-L404 WeakPolarHBondContact O-CB 3.41Å; N401-L404 PolarHBondContact O-N 3.28Å; N401-L404 VanDerWaalsContact O-N 3.16Å; N401-L404 PolarHBondContact OD1-N 3.37Å; L404-A407 WeakPolarHBondContact O-CB 3.3Å; L404-A407 PolarHBondContact O-N 2.9Å; L404-V408 WeakPolarHBondContact O-CG2 3.18Å; L404-V408 PolarHBondContact O-N 3.32Å |
| 405 | A | 86.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I236 A240 N401 S402 L403 A407 V408 M409 P425 | I236-A405 HydrophobicContact CG2-CB 4.13Å; A240-A405 HydrophobicContact CB-CB 4.5Å; N401-A405 PolarHBondContact O-N 2.75Å; S402-A405 PolarHBondContact O-N 3.01Å; L403-A405 VanDerWaalsContact C-N 3.34Å; A405-A407 VanDerWaalsContact C-N 3.28Å; A405-A407 PolarHBondContact O-N 2.6Å; A405-V408 WeakPolarHBondContact O-CB 3.37Å; A405-V408 PolarHBondContact O-N 2.78Å; A405-V408 VanDerWaalsContact O-N 3.08Å; A405-M409 WeakPolarHBondContact O-CG 3.38Å; A405-M409 PolarHBondContact O-N 3.17Å; A405-P425 HydrophobicContact CB-CB 3.97Å |
| 406 | L | 83.4 | Confident | 80.1 | Confident | 16 Ų | 16 | 31.5 Ų | 31.5 | 8% | 0.084 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.7 | -45.1 | 172.3 | -174.3 | 154.1 | 0 | 0 | 0 | 110.9 | I353 S402 L403 V408 M409 Q410 P425 F426 | I353-L406 HydrophobicContact CD1-CD1 4.22Å; S402-L406 WeakPolarHBondContact O-CB 3.47Å; S402-L406 PolarHBondContact O-N 3.5Å; L403-L406 PolarHBondContact O-N 2.68Å; L406-V408 VanDerWaalsContact C-N 3.26Å; L406-V408 PolarHBondContact O-N 3.2Å; L406-M409 PolarHBondContact O-N 3.32Å; L406-Q410 HydrophobicContact CD2-CG 3.87Å; L406-Q410 WeakPolarHBondContact O-CG 3.46Å; L406-Q410 PolarHBondContact O-N 2.97Å; L406-P425 HydrophobicContact CB-CB 4.14Å; L406-P425 HydrophobicContact CB-CG 4.09Å; L406-F426 HydrophobicContact CD1-CD2 4.29Å |
| 407 | A | 75.9 | Confident | 78.9 | Confident | 14 Ų | 14 | 36.4 Ų | 36.4 | 12% | 0.116 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.3 | -28.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | K298 L403 L404 A405 L411 | K298-A407 HydrophobicContact CD-CB 3.88Å; K298-A407 PolarHBondContact NZ-O 2.93Å; L403-A407 WeakPolarHBondContact O-CB 3.4Å; L403-A407 PolarHBondContact O-N 3.4Å; L404-A407 WeakPolarHBondContact O-CB 3.3Å; L404-A407 PolarHBondContact O-N 2.9Å; A405-A407 VanDerWaalsContact C-N 3.28Å; A405-A407 PolarHBondContact O-N 2.6Å; A407-L411 WeakPolarHBondContact O-CB 3.42Å; A407-L411 WeakPolarHBondContact O-CG 3.3Å; A407-L411 PolarHBondContact O-N 2.98Å |
| 408 | V | 76.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -72.1 | -46 | 171.9 | -178.6 | 0 | 0 | 0 | 0 | 110.2 | I236 M275 V294 P295 L404 A405 L406 Q410 L411 S412 | I236-V408 HydrophobicContact CG2-CB 4.1Å; I236-V408 HydrophobicContact CG2-CG1 4.16Å; I236-V408 HydrophobicContact CG2-CG2 4.34Å; M275-V408 HydrophobicContact CE-CG2 3.86Å; V294-V408 HydrophobicContact CG2-CG1 4.5Å; P295-V408 HydrophobicContact CG-CG2 4.01Å; L404-V408 WeakPolarHBondContact O-CG2 3.18Å; L404-V408 PolarHBondContact O-N 3.32Å; A405-V408 WeakPolarHBondContact O-CB 3.37Å; A405-V408 PolarHBondContact O-N 2.78Å; A405-V408 VanDerWaalsContact O-N 3.08Å; L406-V408 VanDerWaalsContact C-N 3.26Å; L406-V408 PolarHBondContact O-N 3.2Å; V408-Q410 PolarHBondContact O-N 2.7Å; V408-L411 PolarHBondContact O-N 3.09Å; V408-S412 VanDerWaalsContact O-CB 3.28Å; V408-S412 WeakPolarHBondContact O-CB 3.4Å; V408-S412 PolarHBondContact O-N 2.77Å; V408-S412 PolarHBondContact O-OG 2.9Å |
| 409 | M | 81.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.1 | -48.5 | 179.5 | -64.8 | -58.6 | 94.8 | 0 | 0 | 111.6 | G233 I236 L292 A405 L406 L411 S412 F413 A421 S422 P425 | G233-M409 VanDerWaalsContact CA-SD 3.55Å; I236-M409 HydrophobicContact CB-CE 3.85Å; I236-M409 HydrophobicContact CG1-CE 3.68Å; I236-M409 HydrophobicContact CG2-CE 3.91Å; L292-M409 HydrophobicContact CD1-CE 4.14Å; L292-M409 HydrophobicContact CD2-CE 3.82Å; A405-M409 WeakPolarHBondContact O-CG 3.38Å; A405-M409 PolarHBondContact O-N 3.17Å; L406-M409 PolarHBondContact O-N 3.32Å; M409-L411 PolarHBondContact O-N 2.82Å; M409-S412 PolarHBondContact O-N 2.82Å; M409-F413 HydrophobicContact CE-CE2 4.28Å; M409-F413 PolarHBondContact O-N 2.82Å; M409-F413 VanDerWaalsContact O-N 3.16Å; M409-F413 HydrophobicContact SD-CD2 4.12Å; M409-F413 HydrophobicContact SD-CE2 3.66Å; M409-A421 HydrophobicContact CB-CB 4.41Å; M409-A421 HydrophobicContact CG-CB 4.28Å; M409-A421 HydrophobicContact SD-CB 3.85Å; M409-S422 WeakPolarHBondContact CB-OG 3.45Å; M409-P425 HydrophobicContact CG-CG 4.38Å |
| 410 | Q | 74 | Confident | 76.5 | Confident | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.6 | -22.6 | 179.9 | -68.7 | -70.8 | -36.6 | 0 | 0 | 113.9 | L160 L406 V408 A418 D419 S422 | L160-Q410 HydrophobicContact CD1-CB 4.37Å; L406-Q410 HydrophobicContact CD2-CG 3.87Å; L406-Q410 WeakPolarHBondContact O-CG 3.46Å; L406-Q410 PolarHBondContact O-N 2.97Å; V408-Q410 PolarHBondContact O-N 2.7Å; Q410-A418 PolarHBondContact NE2-O 2.84Å; Q410-D419 PolarHBondContact NE2-OD1 2.9Å; Q410-S422 PolarHBondContact NE2-OG 2.84Å |
| 411 | L | 67.3 | Low | 76.2 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -93.4 | -24.2 | 176.3 | -78.9 | -178.9 | 0 | 0 | 0 | 114 | A150 L154 P295 K298 A407 V408 M409 | A150-L411 HydrophobicContact CB-CD2 4.25Å; L154-L411 HydrophobicContact CD2-CD1 4.32Å; L154-L411 HydrophobicContact CD2-CD2 3.7Å; L154-L411 HydrophobicContact CD2-CG 4.13Å; L154-L411 HydrophobicContact CG-CD2 3.95Å; P295-L411 HydrophobicContact CB-CD1 3.57Å; P295-L411 HydrophobicContact CG-CD1 3.94Å; K298-L411 HydrophobicContact CD-CD1 3.87Å; K298-L411 VanDerWaalsContact CE-CD1 3.43Å; A407-L411 WeakPolarHBondContact O-CB 3.42Å; A407-L411 WeakPolarHBondContact O-CG 3.3Å; A407-L411 PolarHBondContact O-N 2.98Å; V408-L411 PolarHBondContact O-N 3.09Å; M409-L411 PolarHBondContact O-N 2.82Å |
| 412 | S | 66.6 | Low | 76 | Confident | 30 Ų | 30 | 39.7 Ų | 39.7 | 21% | 0.21 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -96 | -19.9 | -172 | -55.6 | 0 | 0 | 0 | 0 | 113.5 | L292 H293 V408 M409 | L292-S412 VanDerWaalsContact CD2-CB 3.42Å; H293-S412 PolarHBondContact N-OG 3.42Å; H293-S412 VanDerWaalsContact N-OG 3.11Å; H293-S412 PolarHBondContact O-OG 2.93Å; H293-S412 VanDerWaalsContact O-OG 3.07Å; V408-S412 VanDerWaalsContact O-CB 3.28Å; V408-S412 WeakPolarHBondContact O-CB 3.4Å; V408-S412 PolarHBondContact O-N 2.77Å; V408-S412 PolarHBondContact O-OG 2.9Å; M409-S412 PolarHBondContact O-N 2.82Å |
| 413 | F | 65.4 | Low | 76 | Confident | 33 Ų | 33 | 39.5 Ų | 39.5 | 15% | 0.145 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -117 | 158.4 | -176.1 | -71.7 | -71.9 | 0 | 0 | 0 | 112.4 | L232 L292 M409 E417 A418 A421 | L232-F413 HydrophobicContact CD1-CZ 4Å; L292-F413 HydrophobicContact CD2-CD2 4.07Å; L292-F413 HydrophobicContact CD2-CE1 4.46Å; L292-F413 HydrophobicContact CD2-CE2 3.33Å; L292-F413 HydrophobicContact CD2-CZ 3.57Å; M409-F413 HydrophobicContact CE-CE2 4.28Å; M409-F413 PolarHBondContact O-N 2.82Å; M409-F413 VanDerWaalsContact O-N 3.16Å; M409-F413 HydrophobicContact SD-CD2 4.12Å; M409-F413 HydrophobicContact SD-CE2 3.66Å; F413-E417 HydrophobicContact CB-CB 4.08Å; F413-E417 HydrophobicContact CD1-CB 4.17Å; F413-E417 HydrophobicContact CG-CB 4.37Å; F413-A418 HydrophobicContact CB-CB 3.83Å; F413-A421 HydrophobicContact CD2-CB 4.02Å; F413-A421 HydrophobicContact CE2-CB 3.94Å |
| 414 | R | 64.3 | Low | 76.5 | Confident | 118 Ų | 118 | 34.5 Ų | 34.5 | 45% | 0.445 | 17% | 0.165 | S | C | . | . | trans | -67.3 | 149.7 | 168.8 | -65.3 | 177.3 | 65.8 | 113.1 | 2.6 | 109.5 | E144 V416 E417 A418 | E144-R414 IonicContact OE1-NH2 2.77Å; E144-R414 IonicContact OE2-CZ 3.53Å; E144-R414 IonicContact OE2-NH1 3.59Å; E144-R414 IonicContact OE2-NH2 2.94Å; E144-R414 PolarHBondContact OE2-NH2 3.07Å; R414-V416 VanDerWaalsContact C-N 3.31Å; R414-V416 PolarHBondContact O-N 2.88Å; R414-E417 PolarHBondContact O-N 3.2Å; R414-A418 WeakPolarHBondContact O-CB 3.44Å; R414-A418 PolarHBondContact O-N 2.88Å | ||
| 415 | R | 60.3 | Low | 76.9 | Confident | 146 Ų | 146 | 34.3 Ų | 34.3 | 55% | 0.551 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -40 | -51 | -170.2 | -93.1 | -170.3 | -177.3 | -177.6 | 8.5 | 114.9 | Q156 A418 D419 | Q156-R415 PolarHBondContact O-NE 2.94Å; Q156-R415 PolarHBondContact O-NH2 2.92Å; R415-A418 WeakPolarHBondContact O-CB 3.39Å; R415-A418 PolarHBondContact O-N 2.8Å; R415-D419 PolarHBondContact O-N 3.24Å; R415-D419 VanDerWaalsContact O-N 3.14Å |
| 416 | V | 63.9 | Low | 77 | Confident | 127 Ų | 127 | 35 Ų | 35 | 77% | 0.77 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -68 | -43.9 | -175.8 | -178.6 | 0 | 0 | 0 | 0 | 112 | R414 A418 F420 | R414-V416 VanDerWaalsContact C-N 3.31Å; R414-V416 PolarHBondContact O-N 2.88Å; V416-A418 VanDerWaalsContact C-N 3.34Å; V416-F420 PolarHBondContact O-N 3.23Å |
| 417 | E | 71.3 | Confident | 77.4 | Confident | 104 Ų | 104 | 34.7 Ų | 34.7 | 49% | 0.486 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -70.9 | -32.4 | 176.9 | -67.8 | 179.6 | 169 | 0 | 0 | 112 | F413 R414 F420 A421 | F413-E417 HydrophobicContact CB-CB 4.08Å; F413-E417 HydrophobicContact CD1-CB 4.17Å; F413-E417 HydrophobicContact CG-CB 4.37Å; R414-E417 PolarHBondContact O-N 3.2Å; E417-F420 PolarHBondContact O-N 2.81Å; E417-A421 VanDerWaalsContact O-CB 3.31Å; E417-A421 WeakPolarHBondContact O-CB 2.82Å; E417-A421 PolarHBondContact O-N 3.34Å |
| 418 | A | 74.6 | Confident | 78.2 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.8 | -48.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q410 F413 R414 R415 V416 F420 A421 S422 | Q410-A418 PolarHBondContact NE2-O 2.84Å; F413-A418 HydrophobicContact CB-CB 3.83Å; R414-A418 WeakPolarHBondContact O-CB 3.44Å; R414-A418 PolarHBondContact O-N 2.88Å; R415-A418 WeakPolarHBondContact O-CB 3.39Å; R415-A418 PolarHBondContact O-N 2.8Å; V416-A418 VanDerWaalsContact C-N 3.34Å; A418-F420 VanDerWaalsContact C-N 3.33Å; A418-F420 PolarHBondContact O-N 2.55Å; A418-A421 PolarHBondContact O-N 2.83Å; A418-S422 WeakPolarHBondContact O-CB 3.33Å; A418-S422 PolarHBondContact O-N 2.84Å; A418-S422 PolarHBondContact O-OG 2.79Å |
| 419 | D | 77.9 | Confident | 78.9 | Confident | 46 Ų | 46 | 35.5 Ų | 35.5 | 25% | 0.246 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 178.7 | -71.2 | -17.8 | 0 | 0 | 0 | 111.2 | Q410 R415 S422 Q423 | Q410-D419 PolarHBondContact NE2-OD1 2.9Å; R415-D419 PolarHBondContact O-N 3.24Å; R415-D419 VanDerWaalsContact O-N 3.14Å; D419-S422 PolarHBondContact O-N 2.78Å; D419-Q423 PolarHBondContact O-N 2.92Å |
| 420 | F | 81.8 | Confident | 79.2 | Confident | 58 Ų | 58 | 37.8 Ų | 37.8 | 25% | 0.254 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.6 | -52.1 | 175.2 | -174.7 | -115.7 | 0 | 0 | 0 | 112.1 | P227 A229 L230 Q358 V416 E417 A418 S422 Q423 | P227-F420 HydrophobicContact CB-CE1 3.88Å; P227-F420 HydrophobicContact CB-CZ 4.11Å; P227-F420 HydrophobicContact CG-CE1 4.32Å; P227-F420 HydrophobicContact CG-CZ 4.04Å; A229-F420 HydrophobicContact CB-CD1 3.85Å; A229-F420 HydrophobicContact CB-CE1 4.21Å; L230-F420 HydrophobicContact CD1-CE1 3.94Å; L230-F420 HydrophobicContact CD1-CE2 3.84Å; L230-F420 HydrophobicContact CD1-CZ 3.39Å; L230-F420 HydrophobicContact CD2-CE2 4.5Å; L230-F420 HydrophobicContact CD2-CZ 4.44Å; L230-F420 WeakPolarHBondContact CD2-O 3.36Å; L230-F420 HydrophobicContact CG-CD1 4.2Å; L230-F420 HydrophobicContact CG-CE1 3.68Å; L230-F420 HydrophobicContact CG-CE2 4.17Å; L230-F420 HydrophobicContact CG-CZ 3.66Å; Q358-F420 HydrophobicContact CG-CE2 4.38Å; V416-F420 PolarHBondContact O-N 3.23Å; E417-F420 PolarHBondContact O-N 2.81Å; A418-F420 VanDerWaalsContact C-N 3.33Å; A418-F420 PolarHBondContact O-N 2.55Å; F420-S422 PolarHBondContact O-N 2.93Å; F420-Q423 WeakPolarHBondContact O-CB 3.33Å; F420-Q423 WeakPolarHBondContact O-CG 3.24Å; F420-Q423 PolarHBondContact O-N 2.74Å |
| 421 | A | 85.3 | Confident | 80 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -31.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A229 M409 F413 E417 A418 Q423 A424 P425 | A229-A421 HydrophobicContact CB-CB 4.24Å; A229-A421 WeakPolarHBondContact O-CB 3.34Å; M409-A421 HydrophobicContact CB-CB 4.41Å; M409-A421 HydrophobicContact CG-CB 4.28Å; M409-A421 HydrophobicContact SD-CB 3.85Å; F413-A421 HydrophobicContact CD2-CB 4.02Å; F413-A421 HydrophobicContact CE2-CB 3.94Å; E417-A421 VanDerWaalsContact O-CB 3.31Å; E417-A421 WeakPolarHBondContact O-CB 2.82Å; E417-A421 PolarHBondContact O-N 3.34Å; A418-A421 PolarHBondContact O-N 2.83Å; A421-Q423 PolarHBondContact O-N 2.89Å; A421-A424 PolarHBondContact O-N 2.81Å; A421-P425 WeakPolarHBondContact O-CD 3.37Å |
| 422 | S | 86 | Confident | 81.2 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.7 | -13 | 179.4 | -63.1 | 0 | 0 | 0 | 0 | 113.9 | M409 Q410 A418 D419 F420 A424 P425 F426 | M409-S422 WeakPolarHBondContact CB-OG 3.45Å; Q410-S422 PolarHBondContact NE2-OG 2.84Å; A418-S422 WeakPolarHBondContact O-CB 3.33Å; A418-S422 PolarHBondContact O-N 2.84Å; A418-S422 PolarHBondContact O-OG 2.79Å; D419-S422 PolarHBondContact O-N 2.78Å; F420-S422 PolarHBondContact O-N 2.93Å; S422-A424 PolarHBondContact O-N 2.95Å; S422-P425 VanDerWaalsContact O-CD 3.29Å; S422-P425 WeakPolarHBondContact O-CD 3.38Å; S422-P425 VanDerWaalsContact O-CG 3.32Å; S422-P425 WeakPolarHBondContact O-CG 3.28Å; S422-F426 WeakPolarHBondContact O-CB 3.28Å; S422-F426 PolarHBondContact O-N 3.01Å; S422-F426 VanDerWaalsContact O-N 3.14Å |
| 423 | Q | 89.5 | Confident | 82.2 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 2% | 0.023 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.6 | -40.8 | 173 | -69.6 | -177.9 | -0.6 | 0 | 0 | 111.7 | L230 I353 A355 D419 F420 A421 F426 I427 | L230-Q423 HydrophobicContact CD2-CB 3.83Å; I353-Q423 HydrophobicContact CG2-CG 4Å; I353-Q423 WeakPolarHBondContact O-CG 3.4Å; I353-Q423 PolarHBondContact O-NE2 3.27Å; A355-Q423 PolarHBondContact O-NE2 3.2Å; D419-Q423 PolarHBondContact O-N 2.92Å; F420-Q423 WeakPolarHBondContact O-CB 3.33Å; F420-Q423 WeakPolarHBondContact O-CG 3.24Å; F420-Q423 PolarHBondContact O-N 2.74Å; A421-Q423 PolarHBondContact O-N 2.89Å; Q423-F426 PolarHBondContact O-N 2.81Å; Q423-I427 HydrophobicContact CB-CD1 4.44Å; Q423-I427 WeakPolarHBondContact O-CB 3.42Å; Q423-I427 WeakPolarHBondContact O-CD1 3.31Å; Q423-I427 WeakPolarHBondContact O-CG1 3.49Å; Q423-I427 PolarHBondContact O-N 3.36Å |
| 424 | A | 91.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.8 | -59 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | L234 I361 A421 S422 F426 I427 V428 | L234-A424 HydrophobicContact CB-CB 4.1Å; I361-A424 HydrophobicContact CD1-CB 3.6Å; I361-A424 HydrophobicContact CG1-CB 4.01Å; A421-A424 PolarHBondContact O-N 2.81Å; S422-A424 PolarHBondContact O-N 2.95Å; A424-F426 PolarHBondContact O-N 2.82Å; A424-I427 PolarHBondContact O-N 2.81Å; A424-V428 VanDerWaalsContact O-CG2 3.32Å; A424-V428 WeakPolarHBondContact O-CG2 3.03Å; A424-V428 PolarHBondContact O-N 2.64Å; A424-V428 VanDerWaalsContact O-N 3.08Å |
| 425 | P | 91.4 | Very high | 84.6 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.2 | -37.2 | 176.7 | 17.2 | -27.7 | 0 | 0 | 0 | 112.4 | T237 S402 A405 L406 M409 A421 S422 V428 A429 | T237-P425 HydrophobicContact CG2-CB 4.33Å; T237-P425 WeakPolarHBondContact OG1-CA 3.32Å; T237-P425 WeakPolarHBondContact OG1-CB 3.43Å; T237-P425 WeakPolarHBondContact OG1-CD 3.44Å; S402-P425 VanDerWaalsContact CB-O 3.24Å; S402-P425 WeakPolarHBondContact CB-O 3.23Å; S402-P425 WeakPolarHBondContact O-CB 3.31Å; A405-P425 HydrophobicContact CB-CB 3.97Å; L406-P425 HydrophobicContact CB-CB 4.14Å; L406-P425 HydrophobicContact CB-CG 4.09Å; M409-P425 HydrophobicContact CG-CG 4.38Å; A421-P425 WeakPolarHBondContact O-CD 3.37Å; S422-P425 VanDerWaalsContact O-CD 3.29Å; S422-P425 WeakPolarHBondContact O-CD 3.38Å; S422-P425 VanDerWaalsContact O-CG 3.32Å; S422-P425 WeakPolarHBondContact O-CG 3.28Å; P425-V428 PolarHBondContact O-N 2.93Å; P425-A429 WeakPolarHBondContact O-CB 3.5Å; P425-A429 PolarHBondContact O-N 3.46Å |
| 426 | F | 89.5 | Confident | 86.2 | Confident | 14 Ų | 14 | 28 Ų | 28 | 6% | 0.061 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.1 | -47 | -178.6 | -171.4 | -92.5 | 0 | 0 | 0 | 112.5 | A346 I353 L354 L406 S422 Q423 A424 A429 L430 | A346-F426 HydrophobicContact CB-CE2 4.28Å; A346-F426 HydrophobicContact CB-CZ 4.2Å; A346-F426 WeakPolarHBondContact O-CZ 3.35Å; I353-F426 HydrophobicContact CD1-CD2 3.97Å; I353-F426 HydrophobicContact CD1-CE2 4.47Å; I353-F426 HydrophobicContact CD1-CG 4.4Å; I353-F426 HydrophobicContact CG2-CB 4.05Å; I353-F426 HydrophobicContact CG2-CD1 4.47Å; I353-F426 HydrophobicContact CG2-CG 4.18Å; L354-F426 HydrophobicContact CD1-CD1 4.05Å; L354-F426 HydrophobicContact CD1-CE1 3.5Å; L354-F426 HydrophobicContact CG-CD1 4.12Å; L354-F426 HydrophobicContact CG-CE1 4.05Å; L406-F426 HydrophobicContact CD1-CD2 4.29Å; S422-F426 WeakPolarHBondContact O-CB 3.28Å; S422-F426 PolarHBondContact O-N 3.01Å; S422-F426 VanDerWaalsContact O-N 3.14Å; Q423-F426 PolarHBondContact O-N 2.81Å; A424-F426 PolarHBondContact O-N 2.82Å; F426-A429 WeakPolarHBondContact O-CB 3.46Å; F426-A429 PolarHBondContact O-N 2.81Å; F426-L430 HydrophobicContact CD1-CD1 4.02Å; F426-L430 HydrophobicContact CD1-CG 4.46Å; F426-L430 HydrophobicContact CE1-CD1 3.41Å; F426-L430 VanDerWaalsContact CE1-CD1 3.41Å; F426-L430 HydrophobicContact CE1-CG 4Å; F426-L430 HydrophobicContact CZ-CD1 4.08Å; F426-L430 HydrophobicContact CZ-CG 4.35Å; F426-L430 PolarHBondContact O-N 3.24Å |
| 427 | I | 91 | Very high | 87.4 | Confident | 11 Ų | 11 | 25 Ų | 25 | 6% | 0.056 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.4 | -45.1 | 176.7 | -69.5 | 163.9 | 0 | 0 | 0 | 110.7 | L354 V357 I361 V362 Q423 A424 A429 L430 S431 | L354-I427 HydrophobicContact CD2-CD1 4.47Å; L354-I427 HydrophobicContact CD2-CG1 4.11Å; V357-I427 HydrophobicContact CG2-CD1 3.71Å; I361-I427 HydrophobicContact CB-CD1 4.26Å; I361-I427 HydrophobicContact CG1-CD1 3.96Å; I361-I427 HydrophobicContact CG2-CD1 3.54Å; V362-I427 HydrophobicContact CG2-CD1 3.88Å; Q423-I427 HydrophobicContact CB-CD1 4.44Å; Q423-I427 WeakPolarHBondContact O-CB 3.42Å; Q423-I427 WeakPolarHBondContact O-CD1 3.31Å; Q423-I427 WeakPolarHBondContact O-CG1 3.49Å; Q423-I427 PolarHBondContact O-N 3.36Å; A424-I427 PolarHBondContact O-N 2.81Å; I427-A429 VanDerWaalsContact C-N 3.25Å; I427-A429 PolarHBondContact O-N 2.8Å; I427-L430 PolarHBondContact O-N 2.85Å; I427-S431 PolarHBondContact O-N 3.01Å |
| 428 | V | 93.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.2 | -36.5 | 177.8 | 173.8 | 0 | 0 | 0 | 0 | 111 | L234 T237 V368 P369 A424 P425 S432 | L234-V428 HydrophobicContact CD1-CG2 4.19Å; T237-V428 HydrophobicContact CG2-CB 3.81Å; T237-V428 HydrophobicContact CG2-CG1 3.73Å; T237-V428 HydrophobicContact CG2-CG2 4.04Å; V368-V428 HydrophobicContact CB-CG1 4.21Å; V368-V428 HydrophobicContact CB-CG2 4.06Å; V368-V428 HydrophobicContact CG1-CG1 3.76Å; V368-V428 HydrophobicContact CG1-CG2 4.27Å; V368-V428 HydrophobicContact CG2-CG2 4.01Å; P369-V428 HydrophobicContact CG-CG1 4.38Å; A424-V428 VanDerWaalsContact O-CG2 3.32Å; A424-V428 WeakPolarHBondContact O-CG2 3.03Å; A424-V428 PolarHBondContact O-N 2.64Å; A424-V428 VanDerWaalsContact O-N 3.08Å; P425-V428 PolarHBondContact O-N 2.93Å; V428-S432 WeakPolarHBondContact O-CB 3.33Å; V428-S432 PolarHBondContact O-N 2.67Å |
| 429 | A | 89.9 | Confident | 89.2 | Confident | 29 Ų | 29 | 29.1 Ų | 29.1 | 24% | 0.24 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.6 | -46.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P425 F426 I427 T433 | P425-A429 WeakPolarHBondContact O-CB 3.5Å; P425-A429 PolarHBondContact O-N 3.46Å; F426-A429 WeakPolarHBondContact O-CB 3.46Å; F426-A429 PolarHBondContact O-N 2.81Å; I427-A429 VanDerWaalsContact C-N 3.25Å; I427-A429 PolarHBondContact O-N 2.8Å; A429-T433 WeakPolarHBondContact O-CB 3.44Å; A429-T433 WeakPolarHBondContact O-CG2 3.5Å; A429-T433 PolarHBondContact O-N 2.72Å; A429-T433 PolarHBondContact O-OG1 2.97Å |
| 430 | L | 88.1 | Confident | 89.8 | Confident | 49 Ų | 49 | 28 Ų | 28 | 26% | 0.257 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.5 | -45 | 177.3 | -74 | -178.7 | 0 | 0 | 0 | 111.6 | A346 L354 F426 I427 T433 S434 | A346-L430 HydrophobicContact CB-CD2 3.77Å; L354-L430 HydrophobicContact CD1-CD1 4.47Å; F426-L430 HydrophobicContact CD1-CD1 4.02Å; F426-L430 HydrophobicContact CD1-CG 4.46Å; F426-L430 HydrophobicContact CE1-CD1 3.41Å; F426-L430 VanDerWaalsContact CE1-CD1 3.41Å; F426-L430 HydrophobicContact CE1-CG 4Å; F426-L430 HydrophobicContact CZ-CD1 4.08Å; F426-L430 HydrophobicContact CZ-CG 4.35Å; F426-L430 PolarHBondContact O-N 3.24Å; I427-L430 PolarHBondContact O-N 2.85Å; L430-T433 PolarHBondContact O-OG1 2.94Å; L430-S434 VanDerWaalsContact O-CB 3.31Å; L430-S434 WeakPolarHBondContact O-CB 3.41Å; L430-S434 PolarHBondContact O-N 3.32Å; L430-S434 PolarHBondContact O-OG 3.17Å |
| 431 | S | 91.4 | Very high | 90.2 | Very high | 10 Ų | 10 | 29.3 Ų | 29.3 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66 | -46.9 | 179.4 | 135.4 | 0 | 0 | 0 | 0 | 110.8 | G365 V366 P369 I427 T433 S434 E435 | G365-S431 PolarHBondContact O-OG 2.96Å; V366-S431 WeakPolarHBondContact CA-OG 3.35Å; P369-S431 WeakPolarHBondContact CD-OG 3.28Å; P369-S431 VanDerWaalsContact CG-OG 3.29Å; P369-S431 WeakPolarHBondContact CG-OG 3.16Å; I427-S431 PolarHBondContact O-N 3.01Å; S431-T433 PolarHBondContact O-N 2.71Å; S431-S434 PolarHBondContact O-N 2.86Å; S431-E435 WeakPolarHBondContact O-CB 3.46Å; S431-E435 WeakPolarHBondContact O-CG 3.33Å; S431-E435 PolarHBondContact O-N 2.79Å; S431-E435 PolarHBondContact OG-OE1 3.44Å |
| 432 | S | 91.8 | Very high | 90.5 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.8 | -47.1 | -179.9 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | V428 M436 | V428-S432 WeakPolarHBondContact O-CB 3.33Å; V428-S432 PolarHBondContact O-N 2.67Å; S432-M436 VanDerWaalsContact O-CB 3.31Å; S432-M436 WeakPolarHBondContact O-CB 3.2Å; S432-M436 WeakPolarHBondContact O-CG 3.35Å; S432-M436 PolarHBondContact O-N 3.31Å |
| 433 | T | 88 | Confident | 90.7 | Very high | 44 Ų | 44 | 32.6 Ų | 32.6 | 27% | 0.27 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64 | -43.4 | 176.9 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | A429 L430 S431 L437 | A429-T433 WeakPolarHBondContact O-CB 3.44Å; A429-T433 WeakPolarHBondContact O-CG2 3.5Å; A429-T433 PolarHBondContact O-N 2.72Å; A429-T433 PolarHBondContact O-OG1 2.97Å; L430-T433 PolarHBondContact O-OG1 2.94Å; S431-T433 PolarHBondContact O-N 2.71Å; T433-L437 VanDerWaalsContact O-CB 3.32Å; T433-L437 WeakPolarHBondContact O-CB 3.42Å; T433-L437 PolarHBondContact O-N 3.2Å |
| 434 | S | 88.5 | Confident | 90.6 | Very high | 60 Ų | 60 | 37.6 Ų | 37.6 | 42% | 0.42 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.5 | -49 | 179.5 | -55.6 | 0 | 0 | 0 | 0 | 112.3 | L430 S431 L437 L438 | L430-S434 VanDerWaalsContact O-CB 3.31Å; L430-S434 WeakPolarHBondContact O-CB 3.41Å; L430-S434 PolarHBondContact O-N 3.32Å; L430-S434 PolarHBondContact O-OG 3.17Å; S431-S434 PolarHBondContact O-N 2.86Å; S434-L437 PolarHBondContact O-N 3.46Å; S434-L438 WeakPolarHBondContact O-CG 3.23Å; S434-L438 PolarHBondContact O-N 2.61Å |
| 435 | E | 92.1 | Very high | 90.6 | Very high | 22 Ų | 22 | 42.2 Ų | 42.2 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -45 | -179.8 | -74.6 | 164.3 | -143 | 0 | 0 | 111.7 | P369 L370 S431 L437 L438 I439 | P369-E435 WeakPolarHBondContact CB-OE2 3.45Å; L370-E435 HydrophobicContact CD2-CG 4.26Å; L370-E435 WeakPolarHBondContact CD2-OE2 3.32Å; L370-E435 WeakPolarHBondContact CG-OE2 3.12Å; L370-E435 PolarHBondContact N-OE2 2.64Å; S431-E435 WeakPolarHBondContact O-CB 3.46Å; S431-E435 WeakPolarHBondContact O-CG 3.33Å; S431-E435 PolarHBondContact O-N 2.79Å; S431-E435 PolarHBondContact OG-OE1 3.44Å; E435-L437 VanDerWaalsContact C-N 3.29Å; E435-L437 PolarHBondContact O-N 3.23Å; E435-L438 WeakPolarHBondContact O-CB 3.05Å; E435-L438 PolarHBondContact O-N 2.87Å; E435-I439 VanDerWaalsContact O-CG1 3.28Å; E435-I439 WeakPolarHBondContact O-CG1 3.39Å; E435-I439 PolarHBondContact O-N 3.3Å |
| 436 | M | 92.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.9 | -38 | 177.2 | -68.4 | -69.3 | 164.3 | 0 | 0 | 111.6 | Y249 L373 V399 S432 I439 V440 | Y249-M436 HydrophobicContact CD1-CB 3.63Å; Y249-M436 HydrophobicContact CD1-CG 4.38Å; Y249-M436 HydrophobicContact CD2-CB 3.97Å; Y249-M436 HydrophobicContact CD2-CG 3.93Å; Y249-M436 HydrophobicContact CD2-SD 4.41Å; Y249-M436 HydrophobicContact CE1-CB 3.36Å; Y249-M436 HydrophobicContact CE1-CG 4.35Å; Y249-M436 HydrophobicContact CE2-CB 3.74Å; Y249-M436 HydrophobicContact CE2-CG 3.91Å; Y249-M436 HydrophobicContact CG-CB 3.92Å; Y249-M436 HydrophobicContact CG-CG 4.17Å; Y249-M436 HydrophobicContact CG-SD 4.34Å; Y249-M436 VanDerWaalsContact CZ-CB 3.43Å; L373-M436 HydrophobicContact CD1-CE 3.73Å; L373-M436 HydrophobicContact CD2-CE 3.38Å; L373-M436 HydrophobicContact CD2-SD 4.3Å; L373-M436 HydrophobicContact CG-CE 3.6Å; V399-M436 HydrophobicContact CG2-CE 3.28Å; V399-M436 HydrophobicContact CG2-CG 3.83Å; V399-M436 HydrophobicContact CG2-SD 3.89Å; S432-M436 VanDerWaalsContact O-CB 3.31Å; S432-M436 WeakPolarHBondContact O-CB 3.2Å; S432-M436 WeakPolarHBondContact O-CG 3.35Å; S432-M436 PolarHBondContact O-N 3.31Å; M436-I439 PolarHBondContact O-N 3.01Å; M436-V440 WeakPolarHBondContact O-CB 3.4Å; M436-V440 VanDerWaalsContact O-CG2 3.27Å; M436-V440 WeakPolarHBondContact O-CG2 2.93Å; M436-V440 PolarHBondContact O-N 2.86Å |
| 437 | L | 89.1 | Confident | 90.5 | Very high | 64 Ų | 64 | 55.5 Ų | 55.5 | 34% | 0.335 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 174.6 | -171.8 | 67.3 | 0 | 0 | 0 | 111.2 | T433 S434 E435 I439 V440 L441 | T433-L437 VanDerWaalsContact O-CB 3.32Å; T433-L437 WeakPolarHBondContact O-CB 3.42Å; T433-L437 PolarHBondContact O-N 3.2Å; S434-L437 PolarHBondContact O-N 3.46Å; E435-L437 VanDerWaalsContact C-N 3.29Å; E435-L437 PolarHBondContact O-N 3.23Å; L437-I439 PolarHBondContact O-N 2.83Å; L437-V440 PolarHBondContact O-N 2.83Å; L437-L441 HydrophobicContact CG-CD1 4.04Å; L437-L441 HydrophobicContact CG-CG 4.41Å; L437-L441 WeakPolarHBondContact O-CB 3.35Å; L437-L441 VanDerWaalsContact O-CG 3.27Å; L437-L441 WeakPolarHBondContact O-CG 3.3Å; L437-L441 PolarHBondContact O-N 3.42Å |
| 438 | L | 91.8 | Very high | 90.3 | Very high | 121 Ų | 121 | 63.5 Ų | 63.5 | 63% | 0.634 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.5 | -44 | 174.9 | -71.1 | 173 | 0 | 0 | 0 | 111.8 | S434 E435 L441 G442 | S434-L438 WeakPolarHBondContact O-CG 3.23Å; S434-L438 PolarHBondContact O-N 2.61Å; E435-L438 WeakPolarHBondContact O-CB 3.05Å; E435-L438 PolarHBondContact O-N 2.87Å; L438-L441 PolarHBondContact O-N 3.36Å; L438-G442 PolarHBondContact O-N 2.84Å |
| 439 | I | 93.1 | Very high | 90.1 | Very high | 69 Ų | 69 | 69.8 Ų | 69.8 | 35% | 0.354 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 177 | -65.8 | 165.5 | 0 | 0 | 0 | 110.6 | L253 L373 E435 M436 L437 S443 | L253-I439 HydrophobicContact CD1-CG2 3.79Å; L253-I439 HydrophobicContact CD2-CG2 3.89Å; L373-I439 HydrophobicContact CD1-CD1 3.59Å; E435-I439 VanDerWaalsContact O-CG1 3.28Å; E435-I439 WeakPolarHBondContact O-CG1 3.39Å; E435-I439 PolarHBondContact O-N 3.3Å; M436-I439 PolarHBondContact O-N 3.01Å; L437-I439 PolarHBondContact O-N 2.83Å; I439-S443 WeakPolarHBondContact O-CB 3.42Å; I439-S443 PolarHBondContact O-N 2.81Å |
| 440 | V | 90.5 | Very high | 89.7 | Confident | 22 Ų | 22 | 71.5 Ų | 71.5 | 13% | 0.133 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.7 | -50.7 | 176.7 | 168 | 0 | 0 | 0 | 0 | 111.1 | Y249 L252 L253 M436 L437 G442 S443 F444 | Y249-V440 HydrophobicContact CD1-CG2 4.01Å; L252-V440 HydrophobicContact CB-CG1 4.34Å; L252-V440 HydrophobicContact CB-CG2 4.11Å; L252-V440 HydrophobicContact CD1-CG1 4.09Å; L252-V440 HydrophobicContact CD1-CG2 4.2Å; L253-V440 HydrophobicContact CD1-CG2 4.35Å; L253-V440 HydrophobicContact CD2-CG2 3.96Å; L253-V440 HydrophobicContact CG-CG2 4.02Å; M436-V440 WeakPolarHBondContact O-CB 3.4Å; M436-V440 VanDerWaalsContact O-CG2 3.27Å; M436-V440 WeakPolarHBondContact O-CG2 2.93Å; M436-V440 PolarHBondContact O-N 2.86Å; L437-V440 PolarHBondContact O-N 2.83Å; V440-G442 PolarHBondContact O-N 2.86Å; V440-S443 PolarHBondContact O-N 2.81Å; V440-S443 PolarHBondContact O-OG 2.92Å; V440-F444 PolarHBondContact O-N 2.88Å |
| 441 | L | 90 | Very high | 88.4 | Confident | 87 Ų | 87 | 73.9 Ų | 73.9 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 179.2 | -71.5 | 172.7 | 0 | 0 | 0 | 111.3 | L437 L438 S443 F444 I445 | L437-L441 HydrophobicContact CG-CD1 4.04Å; L437-L441 HydrophobicContact CG-CG 4.41Å; L437-L441 WeakPolarHBondContact O-CB 3.35Å; L437-L441 VanDerWaalsContact O-CG 3.27Å; L437-L441 WeakPolarHBondContact O-CG 3.3Å; L437-L441 PolarHBondContact O-N 3.42Å; L438-L441 PolarHBondContact O-N 3.36Å; L441-S443 VanDerWaalsContact C-N 3.32Å; L441-S443 PolarHBondContact O-N 2.91Å; L441-F444 PolarHBondContact O-N 3.39Å; L441-F444 VanDerWaalsContact O-N 3.13Å; L441-I445 VanDerWaalsContact O-CG1 3.29Å; L441-I445 WeakPolarHBondContact O-CG1 3.4Å; L441-I445 PolarHBondContact O-N 3.48Å |
| 442 | G | 92.3 | Very high | 86.4 | Confident | 38 Ų | 38 | 82.1 Ų | 82.1 | 39% | 0.392 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L438 V440 F444 I445 W446 | L438-G442 PolarHBondContact O-N 2.84Å; V440-G442 PolarHBondContact O-N 2.86Å; G442-F444 VanDerWaalsContact C-N 3.3Å; G442-F444 PolarHBondContact O-N 2.86Å; G442-I445 PolarHBondContact O-N 2.85Å; G442-W446 VanDerWaalsContact O-CB 3.26Å; G442-W446 WeakPolarHBondContact O-CB 3.22Å; G442-W446 PolarHBondContact O-N 2.87Å |
| 443 | S | 89.6 | Confident | 86.2 | Confident | 30 Ų | 30 | 85.9 Ų | 85.9 | 21% | 0.21 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -63.9 | -34.7 | 176.6 | 81.7 | 0 | 0 | 0 | 0 | 113 | L253 I439 V440 L441 R447 | L253-S443 WeakPolarHBondContact CD2-OG 3.31Å; I439-S443 WeakPolarHBondContact O-CB 3.42Å; I439-S443 PolarHBondContact O-N 2.81Å; V440-S443 PolarHBondContact O-N 2.81Å; V440-S443 PolarHBondContact O-OG 2.92Å; L441-S443 VanDerWaalsContact C-N 3.32Å; L441-S443 PolarHBondContact O-N 2.91Å; S443-R447 VanDerWaalsContact O-CG 3.26Å; S443-R447 WeakPolarHBondContact O-CG 3.21Å; S443-R447 PolarHBondContact O-N 3.25Å |
| 444 | F | 87.8 | Confident | 86.1 | Confident | 110 Ų | 110 | 88.1 Ų | 88.1 | 48% | 0.482 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -74.5 | -43.8 | 179.9 | -168.9 | -103.3 | 0 | 0 | 0 | 111.7 | V440 L441 G442 W446 R447 R448 | V440-F444 PolarHBondContact O-N 2.88Å; L441-F444 PolarHBondContact O-N 3.39Å; L441-F444 VanDerWaalsContact O-N 3.13Å; G442-F444 VanDerWaalsContact C-N 3.3Å; G442-F444 PolarHBondContact O-N 2.86Å; F444-W446 VanDerWaalsContact C-N 3.34Å; F444-R447 PolarHBondContact O-N 3.32Å; F444-R448 HydrophobicContact CE1-CG 4.45Å; F444-R448 VanDerWaalsContact CE1-CZ 3.42Å; F444-R448 PolarHBondContact O-N 2.95Å |
| 445 | I | 90.7 | Very high | 85.9 | Confident | 98 Ų | 98 | 89.7 Ų | 89.7 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.6 | -47.8 | 173.2 | -67.2 | 165.4 | 0 | 0 | 0 | 109.6 | L441 G442 R447 R448 L449 | L441-I445 VanDerWaalsContact O-CG1 3.29Å; L441-I445 WeakPolarHBondContact O-CG1 3.4Å; L441-I445 PolarHBondContact O-N 3.48Å; G442-I445 PolarHBondContact O-N 2.85Å; I445-R447 PolarHBondContact O-N 3.17Å; I445-R448 PolarHBondContact O-N 2.85Å; I445-L449 HydrophobicContact CG2-CD1 3.65Å; I445-L449 HydrophobicContact CG2-CG 4.28Å; I445-L449 WeakPolarHBondContact O-CG 3.31Å; I445-L449 PolarHBondContact O-N 3.35Å |
| 446 | W | 90.6 | Very high | 85.6 | Confident | 174 Ų | 174 | 93.6 Ų | 93.6 | 66% | 0.659 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.1 | -47.1 | 177.4 | -178.4 | -90.4 | 0 | 0 | 0 | 112.5 | G442 F444 R448 L449 C450 | G442-W446 VanDerWaalsContact O-CB 3.26Å; G442-W446 WeakPolarHBondContact O-CB 3.22Å; G442-W446 PolarHBondContact O-N 2.87Å; F444-W446 VanDerWaalsContact C-N 3.34Å; W446-R448 VanDerWaalsContact C-N 3.34Å; W446-R448 PolarHBondContact O-N 3.39Å; W446-L449 PolarHBondContact O-N 2.98Å; W446-C450 HydrophobicContact CZ2-CB 4.49Å; W446-C450 WeakPolarHBondContact O-CB 3.31Å; W446-C450 PolarHBondContact O-N 2.68Å |
| 447 | R | 88.6 | Confident | 85.2 | Confident | 120 Ų | 120 | 99.4 Ų | 99.4 | 45% | 0.453 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 177.4 | -74.9 | 175.2 | -168.6 | -172.6 | 9.7 | 111.9 | S443 F444 I445 L449 C451 | S443-R447 VanDerWaalsContact O-CG 3.26Å; S443-R447 WeakPolarHBondContact O-CG 3.21Å; S443-R447 PolarHBondContact O-N 3.25Å; F444-R447 PolarHBondContact O-N 3.32Å; I445-R447 PolarHBondContact O-N 3.17Å; R447-L449 VanDerWaalsContact C-N 3.33Å; R447-L449 PolarHBondContact O-N 3.35Å; R447-C451 CarbonylContact O-C 3.56Å; R447-C451 WeakPolarHBondContact O-CA 3.36Å; R447-C451 PolarHBondContact O-N 3.25Å |
| 448 | R | 87.4 | Confident | 84.9 | Confident | 178 Ų | 178 | 101.8 Ų | 101.8 | 67% | 0.672 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66 | -33.2 | 177.8 | -76.4 | -168.2 | 175 | -166.2 | -0.3 | 113.6 | F444 I445 W446 | F444-R448 HydrophobicContact CE1-CG 4.45Å; F444-R448 VanDerWaalsContact CE1-CZ 3.42Å; F444-R448 PolarHBondContact O-N 2.95Å; I445-R448 PolarHBondContact O-N 2.85Å; W446-R448 VanDerWaalsContact C-N 3.34Å; W446-R448 PolarHBondContact O-N 3.39Å |
| 449 | L | 89.4 | Confident | 84.4 | Confident | 133 Ų | 133 | 100.4 Ų | 100.4 | 70% | 0.696 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -83.7 | -36.1 | -178.6 | -68.3 | 174.1 | 0 | 0 | 0 | 112.8 | I445 W446 R447 | I445-L449 HydrophobicContact CG2-CD1 3.65Å; I445-L449 HydrophobicContact CG2-CG 4.28Å; I445-L449 WeakPolarHBondContact O-CG 3.31Å; I445-L449 PolarHBondContact O-N 3.35Å; W446-L449 PolarHBondContact O-N 2.98Å; R447-L449 VanDerWaalsContact C-N 3.33Å; R447-L449 PolarHBondContact O-N 3.35Å |
| 450 | C | 80.1 | Confident | 83.7 | Confident | 65 Ų | 65 | 102.8 Ų | 102.8 | 44% | 0.439 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -107.6 | -13 | -170.3 | -60.8 | 0 | 0 | 0 | 0 | 114.8 | W446 | W446-C450 HydrophobicContact CZ2-CB 4.49Å; W446-C450 WeakPolarHBondContact O-CB 3.31Å; W446-C450 PolarHBondContact O-N 2.68Å |
| 451 | C | 62.1 | Low | 83.2 | Confident | 100 Ų | 100 | 109.6 Ų | 109.6 | 68% | 0.676 | 57% | 0.568 | S | S | * | * | trans | -141.5 | 73.9 | 176.1 | -64 | 0 | 0 | 0 | 0 | 109.7 | R447 | R447-C451 CarbonylContact O-C 3.56Å; R447-C451 WeakPolarHBondContact O-CA 3.36Å; R447-C451 PolarHBondContact O-N 3.25Å | ||
| 452 | P | 49.5 | Very low | 82.5 | Confident | 182 Ų | 182 | 111.6 Ų | 111.6 | 100% | 1.182 | 58% | 0.578 | S | S | * | * | trans | -64.2 | 0 | -177 | 26 | -33.2 | 0 | 0 | 0 | 114 |
Retrieved 452 of 452 residues in 396.8 ms
(Link to these results)